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Entasobulin

CAS No.:
501921-61-5
Catalog Number:
AG00DJZ0
Molecular Formula:
C26H18ClN3O2
Molecular Weight:
439.8930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$168
- +
10mg
98%
1 week
United States
$223
- +
50mg
98%
1 week
United States
$543
- +
100mg
98%
1 week
United States
$821
- +
Product Description
Catalog Number:
AG00DJZ0
Chemical Name:
Entasobulin
CAS Number:
501921-61-5
Molecular Formula:
C26H18ClN3O2
Molecular Weight:
439.8930
MDL Number:
MFCD28963979
IUPAC Name:
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
InChI:
InChI=1S/C26H18ClN3O2/c27-19-9-7-17(8-10-19)15-30-16-22(21-5-1-2-6-24(21)30)25(31)26(32)29-20-11-12-23-18(14-20)4-3-13-28-23/h1-14,16H,15H2,(H,29,32)
InChI Key:
LJIUXAHLYIPHOK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)C(=O)Nc1ccc2c(c1)cccn2
UNII:
TB77GU6BFO
Properties
Complexity:
680  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.109g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
439.899g/mol
Monoisotopic Mass:
439.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Indole- and indolizine-glyoxylamides displaying cytotoxicity against multidrug resistant cancer cell lines. Bioorganic & medicinal chemistry letters 20080315
Properties