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BMS 927711

CAS No.:
1289023-67-1
Catalog Number:
AG009C9V
Molecular Formula:
C28H28F2N6O3
Molecular Weight:
534.5571
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
99%
1 week
United States
$251
- +
10mg
99%
1 week
United States
$390
- +
25mg
≥98%
1 week
United States
$847
- +
50mg
99%
1 week
United States
$1098
- +
100mg
99%
1 week
United States
$1723
- +
Product Description
Catalog Number:
AG009C9V
Chemical Name:
BMS 927711
CAS Number:
1289023-67-1
Molecular Formula:
C28H28F2N6O3
Molecular Weight:
534.5571
MDL Number:
MFCD23098777
IUPAC Name:
[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1
InChI Key:
KRNAOFGYEFKHPB-ANJVHQHFSA-N
SMILES:
O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)O[C@@H]1CC[C@H]([C@@H](c2c1nccc2)N)c1cccc(c1F)F
UNII:
997WVV895X
Properties
Complexity:
891  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
534.219g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
534.568g/mol
Monoisotopic Mass:
534.219g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties