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Chemical structure of GPR35 agonist 3

GC70651

GPR35 agonist 3

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

GPR35 agonist 3 is a synthetic GPR35 agonist with an EC50value of 1·4 μM

ChemicalCAS123021-85-2MW279.27FormulaC12H9NO5S
CAS number
123021-85-2
Molecular weight
279.27
Formula
C12H9NO5S
Solubility
DMSO : 125 mg/mL (447·60 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
WXMCOLGPDOYHNK-UHFFFAOYSA-N
Catalogue number
GC70651
Brand
GLPBIO
Computed properties PubChem CID 2921297 · 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=C1C=C2C(=O)NC(=O)S2)OCC(=O)O

Computed descriptors from PubChem (CID 2921297), 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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