2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

Base Information

• Chemical Name: 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
• CAS No.: 902523-58-4
• Molecular Formula: C20H23ClN2O3S
• Molecular Weight: 406.9
• European Community (EC) Number: 806-113-9
• ChEMBL ID: CHEMBL1303036
• Mol file: 902523-58-4.mol

Synonyms:902523-58-4;ML261;ML-261;2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide;2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide;2-Chloro-N-[2-(3,4-diethoxy phenyl)ethyl]-4-methylthieno [3,2-b]pyrrole-5-carboxamide;SMR000130881;MLS000520470;MLS003874039;MLS003880357;CHEMBL1303036;DGNXYXASQJMULD-UHFFFAOYSA-N;HMS2358F11;NCGC00386867-04;AS-16623;HY-111179;CS-0034537;F82202;MLS-0079804.0001;MLS-0079804.0002

Chemical Property of 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

Chemical Property:

• PKA: 14.14±0.46(Predicted)
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble5mg/mL, clear (warmed)
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 406.1117915
• Heavy Atom Count: 27
• Complexity: 498

Purity/Quality:

99% ^*data from raw suppliers

ML-261 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2C)C=C(S3)Cl)OCC
• Description: ML-261 is a thienopyrrole-5-carboxamide that inhibits lipid droplet formation in murine AML12 hepatocytes (IC50 = 69.7 nM) but not in human Huh7 hepatocellular carcinoma or primary hepatocyte cells.