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Chemical structure of 3,6-Dichloro-1-benzothiophene-2-carboxylic acid

GC42240

3,6-Dichloro-1-benzothiophene-2-carboxylic acid

Also listed as 3,6-dichloro-benzo[b]thiophene-2-Carboxylic Acid

3,6-dichloro-benzo[b]thiophene-2-Carboxylic acid is an inhibitor of myeloid cell leukemia 1 (Mcl-1) with a Ki value of 59 μM for binding of FITC-Mcl-1-BH2 peptide binding to Mcl-1

ChemicalCAS34576-94-8MW247.1FormulaC9H4Cl2O2S
CAS number
34576-94-8
Molecular weight
247.1
Formula
C9H4Cl2O2S
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 1 mg/ml
InChIKey
AAHPIJMQJAZYTM-UHFFFAOYSA-N
Catalogue number
GC42240
Brand
GLPBIO
Computed properties PubChem CID 739884 · XLogP 4.1 · TPSA 65.5 Ų · H-bond donors 1
XLogP
4.1
TPSA
65.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

SMILES C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)O

Computed descriptors from PubChem (CID 739884), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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