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Cb-30865

CAS No.:
206275-15-2
Catalog Number:
AG002IEH
Molecular Formula:
C26H22BrN5O2
Molecular Weight:
516.3892
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$533
- +
10mg
98%
1 week
United States
$672
- +
50mg
98%
1 week
United States
$1716
- +
100mg
98%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG002IEH
Chemical Name:
Cb-30865
CAS Number:
206275-15-2
Molecular Formula:
C26H22BrN5O2
Molecular Weight:
516.3892
MDL Number:
MFCD00947652
IUPAC Name:
4-[(7-bromo-2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide
InChI:
InChI=1S/C26H22BrN5O2/c1-3-11-32(16-20-12-22-24(13-23(20)27)30-17(2)31-26(22)34)21-8-6-19(7-9-21)25(33)29-15-18-5-4-10-28-14-18/h1,4-10,12-14H,11,15-16H2,2H3,(H,29,33)(H,30,31,34)
InChI Key:
SHNBLWMBWXIKMR-UHFFFAOYSA-N
SMILES:
C#CCN(c1ccc(cc1)C(=O)NCc1cccnc1)Cc1cc2c(cc1Br)nc([nH]c2=O)C
Properties
Complexity:
815  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.096g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
516.399g/mol
Monoisotopic Mass:
515.096g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Analogues of 4-[(7-Bromo-2-methyl-4-oxo-3H-quinazolin-6-yl)methylprop-2-ynylamino]-N-(3-pyridylmethyl)benzamide (CB-30865) as potent inhibitors of nicotinamide phosphoribosyltransferase (Nampt). Journal of medicinal chemistry 20101223
Properties