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Home Other Building Blocks BIX-02565

BIX-02565

CAS No.:
1311367-27-7
Catalog Number:
AG009C9U
Molecular Formula:
C26H30N6O2
Molecular Weight:
458.5554
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$130
- +
2mg
99%
1 week
United States
$257
- +
5mg
≥98%
1 week
United States
$310
- +
10mg
99%
1 week
United States
$557
- +
50mg
99%
1 week
United States
$1557
- +
100mg
99%
1 week
United States
$2557
- +
Product Description
Catalog Number:
AG009C9U
Chemical Name:
BIX-02565
CAS Number:
1311367-27-7
Molecular Formula:
C26H30N6O2
Molecular Weight:
458.5554
MDL Number:
MFCD25976796
IUPAC Name:
(5R)-N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-5-methyl-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
InChI:
InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1
InChI Key:
ZHMXXVNQAFCXKK-QGZVFWFLSA-N
SMILES:
CN(CCCn1c(NC(=O)c2ccc3c(c2)n2[C@H](C)CCNC(=O)c2c3)nc2c1cccc2)C
Properties
Complexity:
747  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
458.243g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
458.566g/mol
Monoisotopic Mass:
458.243g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Mitigation of off-target adrenergic binding and effects on cardiovascular function in the discovery of novel ribosomal S6 kinase 2 inhibitors. The Journal of pharmacology and experimental therapeutics 20120301
Indole RSK inhibitors. Part 2: optimization of cell potency and kinase selectivity. Bioorganic & medicinal chemistry letters 20120101
Properties