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AZD-7687

CAS No.:
1166827-44-6
Catalog Number:
AG008TDS
Molecular Formula:
C21H25N3O3
Molecular Weight:
367.4415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$566
- +
10mg
98%
1 week
United States
$973
- +
50mg
98%
1 week
United States
$2557
- +
Product Description
Catalog Number:
AG008TDS
Chemical Name:
AZD-7687
CAS Number:
1166827-44-6
Molecular Formula:
C21H25N3O3
Molecular Weight:
367.4415
MDL Number:
MFCD23098776
IUPAC Name:
2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]cyclohexyl]acetic acid
InChI:
InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)
InChI Key:
YXFNPRHZMOGREC-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCC(CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C
UNII:
6QTJ9P2NYT
Properties
Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.19g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
367.449g/mol
Monoisotopic Mass:
367.19g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687). Journal of medicinal chemistry 20121213
Properties