Home Other Building Blocks (S)-2-(2-(3,5-Difluorophenyl)acetamido)-n-((s)-5-methyl-6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl)propanamide

(S)-2-(2-(3,5-Difluorophenyl)acetamido)-n-((s)-5-methyl-6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl)propanamide

CAS No.:
209984-56-5
Catalog Number:
AG002KI8
Molecular Formula:
C26H23F2N3O3
Molecular Weight:
463.4759
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
2mg
99%
1 week
United States
$157
- +
5mg
99%
1 week
United States
$190
- +
10mg
99%
1 week
United States
$290
- +
25mg
99%
1 week
United States
$590
- +
Product Description
Catalog Number:
AG002KI8
Chemical Name:
(S)-2-(2-(3,5-Difluorophenyl)acetamido)-n-((s)-5-methyl-6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl)propanamide
CAS Number:
209984-56-5
Molecular Formula:
C26H23F2N3O3
Molecular Weight:
463.4759
MDL Number:
MFCD12828734
IUPAC Name:
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanamide
InChI:
InChI=1S/C26H23F2N3O3/c1-15(29-23(32)13-16-11-17(27)14-18(28)12-16)25(33)30-24-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(24)34/h3-12,14-15,24H,13H2,1-2H3,(H,29,32)(H,30,33)/t15-,24-/m0/s1
InChI Key:
QSHGISMANBKLQL-OWJWWREXSA-N
SMILES:
Fc1cc(cc(c1)F)CC(=O)N[C@H](C(=O)N[C@H]1c2ccccc2c2c(N(C1=O)C)cccc2)C
Properties
Complexity:
756  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
463.171g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
463.485g/mol
Monoisotopic Mass:
463.171g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Properties