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CID1792197

CAT: 0013-GTR19197900-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197900-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CID1792197 is a potent and selective small molecule agonist for the GPR55 receptor. It is a valuable research tool for investigating the receptor's role in physiological and pathological processes, including pain, inflammation, and metabolism, in both cellular and animal models.
CAS Number
1164479-69-9
Field of Research
Pharmacology & Drug Discovery
Smiles
S (N (C) C1=CC=CC=C1) (=O) (=O) C2=CC=C (NC (NC (/C=C/C3=C (OC) C=CC=C3) =O) =S) C=C2
Molecular Formula
C24H23N3O4S2
Molecular Weight
481.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[({[3-(2-methoxyphenyl)acryloyl]amino}carbothioyl)amino]-N-methyl-N-phenylbenzenesulfonamide
CAS Number1164479-69-9
PubChem CID1792197
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
Molecular FormulaC24H23N3O4S2
Molecular Weight481.6
XLogP4.6
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity782
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3OC
InChI
InChI=1S/C24H23N3O4S2/c1-27(20-9-4-3-5-10-20)33(29,30)21-15-13-19(14-16-21)25-24(32)26-23(28)17-12-18-8-6-7-11-22(18)31-2/h3-17H,1-2H3,(H2,25,26,28,32)/b17-12+
InChIKey
XOMQERYBMDFBAG-SFQUDFHCSA-N
Chemical Structure
2D Structure
2D structure of 4-[({[3-(2-methoxyphenyl)acryloyl]amino}carbothioyl)amino]-N-methyl-N-phenylbenzenesulfonamide
CAS: 1164479-69-9
CID: 1792197
Formula: C24H23N3O4S2
MW: 481.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass481.11299857
Monoisotopic Mass481.11299857
Topological Polar Surface Area128 Ų
Heavy Atom Count33
Formal Charge0
Complexity782
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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CatalogName
T27017-01CID1792197

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