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AKT inhibitor

CAS No.:
1004990-28-6
Catalog Number:
AG008REC
Molecular Formula:
C20H22F2N6O
Molecular Weight:
400.4251
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
1 week
United States
$640
- +
10mg
95%
1 week
United States
$890
- +
50mg
95%
1 week
United States
$2557
- +
100mg
95%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG008REC
Chemical Name:
AKT inhibitor
CAS Number:
1004990-28-6
Molecular Formula:
C20H22F2N6O
Molecular Weight:
400.4251
MDL Number:
MFCD11846250
IUPAC Name:
N-[[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluorobenzamide
InChI:
InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
InChI Key:
MOZRQQTUYAYCQT-FQEVSTJZSA-N
SMILES:
CCc1c[nH]c2c1c(ncn2)N1CC[C@](C1)(N)CNC(=O)c1ccc(cc1F)F
Properties
Complexity:
597  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
400.182g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
400.434g/mol
Monoisotopic Mass:
400.182g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Design of selective, ATP-competitive inhibitors of Akt. Journal of medicinal chemistry 20100624
Properties