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PF-06281355

CAS No.:
1435467-38-1
Catalog Number:
AG009VTS
Molecular Formula:
C14H15N3O4S
Molecular Weight:
321.3516
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$169
- +
10mg
99%
1 week
United States
$257
- +
25mg
99%
1 week
United States
$490
- +
50mg
99%
1 week
United States
$823
- +
100mg
99%
1 week
United States
$1473
- +
Product Description
Catalog Number:
AG009VTS
Chemical Name:
PF-06281355
CAS Number:
1435467-38-1
Molecular Formula:
C14H15N3O4S
Molecular Weight:
321.3516
MDL Number:
MFCD29472589
IUPAC Name:
2-[6-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
InChI:
InChI=1S/C14H15N3O4S/c1-20-8-3-4-11(21-2)9(5-8)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)
InChI Key:
LJBUZOGABRDGBR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1cc(=O)[nH]c(=S)n1CC(=O)N)OC
Properties
Complexity:
508  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.078g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.351g/mol
Monoisotopic Mass:
321.078g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Discovery of 2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (PF-06282999): A Highly Selective Mechanism-Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases. Journal of medicinal chemistry 20151112
Disposal of infectious wastes. Dimensions in health service 19751201
Properties