2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Modify Date: 2025-09-30 16:31:19

2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Structure
2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure
Common Name 2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CAS Number 68614-64-2 Molecular Weight 405.47000
Density 1.31g/cm3 Boiling Point 693.5ºC at 760 mmHg
Molecular Formula C22H19N3O3S Melting Point N/A
MSDS N/A Flash Point 373.2ºC

 Names

Name 2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.31g/cm3
Boiling Point 693.5ºC at 760 mmHg
Molecular Formula C22H19N3O3S
Molecular Weight 405.47000
Flash Point 373.2ºC
Exact Mass 405.11500
PSA 102.54000
LogP 4.19660
Index of Refraction 1.667
InChIKey TUXOKLCAKSFZNZ-UHFFFAOYSA-N
SMILES COc1ccccc1-n1c(Cc2cccc3ccccc23)nnc1SCC(=O)O

 Bioassay

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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
Name: HTS for Bacterial rRNA inhibitors Measured in Microorganism-Based System Using Plate ...
Source: Broad Institute
Target: N/A
External Id: 7056-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based biochemical high throughput primary assay to identify inhibitors o...
Source: The Scripps Research Institute Molecular Screening Center
Target: Phospholipase C, beta 3 (phosphatidylinositol-specific) [Homo sapiens]
External Id: PLCB3_INH_QFRET_1536_1X%INH PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: ADAM10 [Homo sapiens]
External Id: ADAM10_INH_QFRET_1536_1X%INH PRUN
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
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
Name: Luminescence-based cell-based primary high throughput screening assay to identify inh...
Source: The Scripps Research Institute Molecular Screening Center
Target: COUP transcription factor 2 isoform a [Homo sapiens]
External Id: COUPTFII_INH_LUMI_1536_1X%INH PRUN
Name: Identification of agents that induce E-selectin on human endothelial cells Measured i...
Source: Broad Institute
Target: E-Selectin
External Id: 2152-01_Activator_SinglePoint_HTS_Activity
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

[4-(2-methoxy-phenyl)-5-naphthalen-1-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
5-(1-Naphthylmethyl)-4-(2-methoxy-phenyl)-s-triazol-3-yl-thioglykolsaeure
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