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Chemical structure of TC-G 1001

GC15721

TC-G 1001

Also known as 4-[(Z)-[2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

TC-G 1001 (compound 11) is a potent agonist of GPR35, with EC50s of 26 and 3·2 nM in the β-arrestin and Ca2+ release assay, respectively

ChemicalCAS494191-73-0MW342.34FormulaC17H11FN2O3S
CAS number
494191-73-0
Molecular weight
342.34
Formula
C17H11FN2O3S
Solubility
＜3·42mg/ml in DMSO
InChIKey
SYCKPHBALHXMIR-ZROIWOOFSA-N
Catalogue number
GC15721
Brand
GLPBIO
Computed properties PubChem CID 135468531 · XLogP 3.7 · TPSA 104 Ų · H-bond donors 2
XLogP
3.7
TPSA
104 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24

SMILES C1=CC=C(C(=C1)N=C2NC(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/S2)F

Computed descriptors from PubChem (CID 135468531), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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