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Chemical structure of TCS 3035

GC15716

TCS 3035

Also known as 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid

TCS 3035 (compound 10) is a potent GPR35 agonist with an pEC50 of 5·86

ChemicalCAS871085-49-3MW279.27FormulaC12H9NO5S
CAS number
871085-49-3
Molecular weight
279.27
Formula
C12H9NO5S
Solubility
＜27·93mg/ml in DMSO
InChIKey
WXMCOLGPDOYHNK-UITAMQMPSA-N
Catalogue number
GC15716
Brand
GLPBIO
Computed properties PubChem CID 2295463 · XLogP 1.8 · TPSA 118 Ų · H-bond donors 2
XLogP
1.8
TPSA
118 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
19

SMILES C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)S2)OCC(=O)O

Computed descriptors from PubChem (CID 2295463), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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