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PF-4989216

CAS No.:
1276553-09-3
Catalog Number:
AG009CJK
Molecular Formula:
C18H13FN6OS
Molecular Weight:
380.3988
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
99%
1 week
United States
$232
- +
10mg
99%
1 week
United States
$348
- +
25mg
≥98%
1 week
United States
$665
- +
50mg
99%
1 week
United States
$1023
- +
100mg
99%
1 week
United States
$1223
- +
Product Description
Catalog Number:
AG009CJK
Chemical Name:
PF-4989216
CAS Number:
1276553-09-3
Molecular Formula:
C18H13FN6OS
Molecular Weight:
380.3988
MDL Number:
MFCD28386245
IUPAC Name:
4-(4-cyano-2-fluorophenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile
InChI:
InChI=1S/C18H13FN6OS/c19-14-7-11(8-20)1-2-12(14)15-13(9-21)18(25-3-5-26-6-4-25)27-16(15)17-22-10-23-24-17/h1-2,7,10H,3-6H2,(H,22,23,24)
InChI Key:
MUENOTXSRZEFJV-UHFFFAOYSA-N
SMILES:
N#Cc1c(sc(c1c1ccc(cc1F)C#N)c1ncn[nH]1)N1CCOCC1
Properties
Complexity:
628  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.086g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
380.401g/mol
Monoisotopic Mass:
380.086g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Highly Selective and Potent Thiophenes as PI3K Inhibitors with Oral Antitumor Activity. ACS medicinal chemistry letters 20111110
Properties