1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone
![1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone Structure](https://image.chemsrc.com/caspic/296/6598-92-1.png)
1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone structure
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Common Name | 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone | ||
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| CAS Number | 6598-92-1 | Molecular Weight | 368.49600 | |
| Density | 1.19g/cm3 | Boiling Point | 522ºC at 760mmHg | |
| Molecular Formula | C20H24N4OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 269.5ºC | |
Summary: 1-[6-Methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone, with Chinese name, molecular formula C20H24N4OS, and CAS number 6598-92-1. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone |
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| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.19g/cm3 |
|---|---|
| Boiling Point | 522ºC at 760mmHg |
| Molecular Formula | C20H24N4OS |
| Molecular Weight | 368.49600 |
| Flash Point | 269.5ºC |
| Exact Mass | 368.16700 |
| PSA | 73.46000 |
| LogP | 3.76620 |
| Index of Refraction | 1.626 |
| InChIKey | GAEPNTBTWQYNRN-UHFFFAOYSA-N |
| SMILES | C=CCn1c(C)c(C(C)=O)c(N2CCN(c3ccccc3)CC2)nc1=S |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-[6-methyl-4-(... CAS#:6598-92-1 |
| Literature: Zinner,G. et al. Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft, 1966 , vol. 299, p. 312 - 314 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| HMS2163I15 |
| 9-Phenyl-8,10-dioxo-<4,1,7,9>thiatriazabicyclo<5.3.0>decan-4,4-dioxid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone? |
| A: SMILES notation of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone is C=CCn1c(C)c(C(C)=O)c(N2CCN(c3ccccc3)CC2)nc1=S. |
| Q: What is the LogP of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone? |
| A: LogP of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 3.76620. |
| Q: What is the boiling point of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone? |
| A: Boiling point of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 522ºC at 760mmHg. |
| Q: What is the polar surface area (PSA) of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone? |
| A: Polar surface area (PSA) of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 73.46000. |
| Q: What English synonyms does 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone have? |
| A: English synonyms of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone: HMS2163I15, 9-Phenyl-8,10-dioxo-thiatriazabicyclodecan-4,4-dioxid. |
| Q: What is the CAS number of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone? |
| A: CAS number of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 6598-92-1. |
| Q: What is the molecular weight of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone? |
| A: Molecular weight of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 368.49600. |
| Q: What is the English name of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone? |
| A: The English name of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone. |
| Q: What is the molecular formula of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone? |
| A: Molecular formula of 1-[6-methyl-4-(4-phenylpiperazin-1-yl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone is C20H24N4OS. |
| Q: What is the Chinese name of 6598-92-1? |
| A: Chinese name of 6598-92-1 is 6598-92-1. |