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LY288513

CAT: 0013-GTR19201158-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201158-01Size:10 mg
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Description
This small molecule is a potent and selective antagonist of the cholecystokinin B (CCK2) receptor. It is a valuable research tool for investigating the role of CCK2 signaling in gastrointestinal physiology, anxiety, and pain modulation in both in vitro and in vivo experimental models.
CAS Number
147523-65-7
Field of Research
Pharmacology & Drug Discovery
Smiles
C (NC1=CC=C (Br) C=C1) (=O) N2[C@H] ([C@@H] (C (=O) N2) C3=CC=CC=C3) C4=CC=CC=C4
Molecular Formula
C22H18BrN3O2
Molecular Weight
436.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Pyrazolidinecarboxamide, N-(4-bromophenyl)-3-oxo-4,5-diphenyl-, (4S,5R)-

(4S,5R)-N-(4-bromophenyl)-3-oxo-4,5-diphenyl-1-pyrazolidinecarboxamide is a stilbenoid.

CAS Number147523-65-7
PubChem CID2802894
IUPAC Name(4S,5R)-N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide
Molecular FormulaC22H18BrN3O2
Molecular Weight436.3
XLogP4.2
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity552
SMILES
C1=CC=C(C=C1)[C@H]2[C@@H](N(NC2=O)C(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)/t19-,20-/m0/s1
InChIKey
LMUQHXHWJWQXSD-PMACEKPBSA-N
Chemical Structure
2D Structure
2D structure of 1-Pyrazolidinecarboxamide, N-(4-bromophenyl)-3-oxo-4,5-diphenyl-, (4S,5R)-
CAS: 147523-65-7
CID: 2802894
Formula: C22H18BrN3O2
MW: 436.3
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight436.3
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass435.05824
Monoisotopic Mass435.05824
Topological Polar Surface Area61.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-103357-01LY288513

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