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AZD3988

CAT: 1410-M33275-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M33275-05Size:25 mg
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Description
AZD3988 is an orally active and highly potent inhibitor of diacylglycerol acyltransferase-1 (DGAT-1) for the study of diabetes and obesity.
CAS Number
892489-52-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
456.44
Molecular Formula
C23H22F2N4O4
Notes
Research use only, not for human use.
Receptor
Transferase

Chemical Information

Trans-4-[4-[[[5-[(3,4-difluorophenyl)amino]-1,3,4-oxadiazol-2-yl]carbonyl]amino]phenyl]cyclohexaneacetic acid

See also: Azd3988 (annotation moved to).

CAS Number892489-52-0
PubChem CID23648867
IUPAC Name2-[4-[4-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
Molecular FormulaC23H22F2N4O4
Molecular Weight456.4
XLogP4.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity671
SMILES
C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)NC(=O)C3=NN=C(O3)NC4=CC(=C(C=C4)F)F
InChI
InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)
InChIKey
NGEBYTLALFOQKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trans-4-[4-[[[5-[(3,4-difluorophenyl)amino]-1,3,4-oxadiazol-2-yl]carbonyl]amino]phenyl]cyclohexaneacetic acid
CAS: 892489-52-0
CID: 23648867
Formula: C23H22F2N4O4
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass456.16091152
Monoisotopic Mass456.16091152
Topological Polar Surface Area117 Ų
Heavy Atom Count33
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes