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TCS-3035

CAT: 0013-GTR19202412-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202412-02Size:25 mg
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Description
Compound 10 is a potent GPR35 agonist with a pEC50 of 5.86, active on both human and rat orthologs. Its activity is abolished by an R3.36 mutation. This tool compound is suitable for in vitro signaling studies and investigating GPR35's role in immune and metabolic processes.
CAS Number
871085-49-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
>98%
Bioactivity
GPR35 agonist
Form
Powder
Smiles
C (=C\1/C (=O) NC (=O) S1) \C2=CC=C (OCC (O) =O) C=C2
Molecular Formula
C12H9NO5S
Molecular Weight
279.27
Storage Conditions
RT
Notes
For research use only.

Chemical Information

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

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CAS Number871085-49-3
PubChem CID2295463
IUPAC Name2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Molecular FormulaC12H9NO5S
Molecular Weight279.27
XLogP1.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity426
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)S2)OCC(=O)O
InChI
InChI=1S/C12H9NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-5H,6H2,(H,14,15)(H,13,16,17)/b9-5-
InChIKey
WXMCOLGPDOYHNK-UITAMQMPSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CAS: 871085-49-3
CID: 2295463
Formula: C12H9NO5S
MW: 279.27
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight279.27
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass279.02014356
Monoisotopic Mass279.02014356
Topological Polar Surface Area118 Ų
Heavy Atom Count19
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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