N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide,iodide

Modify Date: 2025-09-13 19:03:18

N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide,iodide Structure
N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide,iodide structure
Common Name N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide,iodide
CAS Number 41382-91-6 Molecular Weight 476.37400
Density N/A Boiling Point N/A
Molecular Formula C21H21IN2OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide,iodide
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C21H21IN2OS
Molecular Weight 476.37400
Exact Mass 476.04200
PSA 53.25000
LogP 1.30600
InChIKey JEWIQNFILJCFLZ-UHFFFAOYSA-M
SMILES CC[n+]1c(C=CC=CN(C(C)=O)c2ccccc2)sc2ccccc21.[I-]

 Synthetic Route

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N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide,iodide Structure

N-[(1E,3E)-4-(3...

CAS#:41382-91-6

Literature: Hamer Journal of the Chemical Society, 1949 , p. 32,36

~%

N-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide,iodide Structure

N-[(1E,3E)-4-(3...

CAS#:41382-91-6

Literature: Kulinich; Derevyanko; Ishchenko Russian Chemical Bulletin, 2005 , vol. 54, # 12 p. 2820 - 2830

 Bioassay

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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
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
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: 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
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
Name: HCS to Identify Inhibitors of Dynein Mediated Cargo Transport on Microtubules: Confir...
Source: University of Pittsburgh Molecular Library Screening Center
Target: N/A
External Id: HCS to Identify Inhibitors of Dynein Mediated Cargo Transport on Microtubules: Confirmation Assay, R21NS057026
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.
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
Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
Name: Confirmed inhibitors of the Cav3 T-type Calcium Channel
Source: 1043
Target: voltage-dependent T-type calcium channel subunit alpha-1H isoform a [Homo sapiens]
External Id: SAID_463087
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 Synonyms

3-ethyl-2-[(1E,3E)-4-methyl(phenyl)carboxamidobuta-1,3-dienyl]-1,3-benzothiazolium iodide
3-ethyl-2-(4-acetanilido-1,3-butadienyl)benzothiazolium iodide
Benzothiazolium,2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-ethyl-,iodide (1:1)
2-[4-(N-Acetyl-anilino)-buta-1,3-dienyl]-3-aethyl-benzothiazolium,Jodid
Benzothiazolium,2-(4-(acetylphenylamino)-1,3-butadienyl)-3-ethyl-,iodide
2-{(1E,3E)-4-[acetyl(phenyl)amino]buta-1,3-dien-1-yl}-3-ethyl-1,3-benzothiazolium iodide
2-[4-(N-acetyl-anilino)-buta-1,3-dienyl]-3-ethyl-benzothiazolium,iodide
2-(4-(N-Acetyl-N-phenylamino)-1,3-butadienyl)-3-ethylbenzothiazolium iodide
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