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Chemical structure of ASK1-IN-4

GC71258

ASK1-IN-4

Also known as 4-[(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

ASK1-IN-4 (Compound 17) is an ASK1 inhibitor (IC50=0·2 μM)

ChemicalCAS1427538-26-8MW452.34FormulaC18H14BrNO4S2
CAS number
1427538-26-8
Molecular weight
452.34
Formula
C18H14BrNO4S2
InChIKey
VOZLCCPWWFCIQS-GDNBJRDFSA-N
Catalogue number
GC71258
Brand
GLPBIO
Computed properties PubChem CID 1351628 · XLogP 4.3 · TPSA 128 Ų · H-bond donors 1
XLogP
4.3
TPSA
128 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

SMILES C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O)Br

Computed descriptors from PubChem (CID 1351628), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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