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PDK1 inhibitor

CAS No.:
1001409-50-2
Catalog Number:
AG008TIU
Molecular Formula:
C28H22F2N4O4
Molecular Weight:
516.4955
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$279
- +
10mg
99%
1 week
United States
$466
- +
50mg
99%
1 week
United States
$1598
- +
100mg
99%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG008TIU
Chemical Name:
PDK1 inhibitor
CAS Number:
1001409-50-2
Molecular Formula:
C28H22F2N4O4
Molecular Weight:
516.4955
MDL Number:
MFCD18642668
IUPAC Name:
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]pyridine-3-carboxamide
InChI:
InChI=1S/C28H22F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)(H2,32,33,37)/t25-/m0/s1
InChI Key:
GCWCGSPBENFEPE-VWLOTQADSA-N
SMILES:
O=C(c1cccn(c1=O)Cc1ccc(c(c1)F)F)NC(c1ccccc1)COc1ccc2c(c1)[nH]c(=O)[nH]2
Properties
Complexity:
953  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
516.161g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
516.505g/mol
Monoisotopic Mass:
516.161g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Discovery of novel, potent, and selective inhibitors of 3-phosphoinositide-dependent kinase (PDK1). Journal of medicinal chemistry 20111222
Properties