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Cb-300919

CAS No.:
289715-28-2
Catalog Number:
AG00BF2U
Molecular Formula:
C32H34ClN7O2
Molecular Weight:
584.1111
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$476
- +
10mg
98%
1 week
United States
$807
- +
50mg
98%
1 week
United States
$2557
- +
Product Description
Catalog Number:
AG00BF2U
Chemical Name:
Cb-300919
CAS Number:
289715-28-2
Molecular Formula:
C32H34ClN7O2
Molecular Weight:
584.1111
MDL Number:
MFCD18782720
IUPAC Name:
4-[[7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide
InChI:
InChI=1S/C32H34ClN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)
InChI Key:
LWTCFUSGPRGUBX-UHFFFAOYSA-N
SMILES:
C#CCN(c1ccc(cc1)C(=O)NCc1cccnc1)Cc1cc2c(cc1Cl)nc(n(c2=O)C)CN1CCN(CC1)C
UNII:
55I8ETE76Y
Properties
Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
583.246g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
584.121g/mol
Monoisotopic Mass:
583.246g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
84.4A^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
The design and synthesis of water-soluble analogues of CB30865, a quinazolin-4-one-based antitumor agent. Journal of medicinal chemistry 20020815
Properties