Home Other Building Blocks Benz[cd]indol-2(1H)-one

Benz[cd]indol-2(1H)-one

CAS No.:
130-00-7
Catalog Number:
AG000TUX
Molecular Formula:
C11H7NO
Molecular Weight:
169.1794
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$43
- +
100g
96%
In Stock USA
United States
$118
- +
500g
96%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG000TUX
Chemical Name:
Benz[cd]indol-2(1H)-one
CAS Number:
130-00-7
Molecular Formula:
C11H7NO
Molecular Weight:
169.1794
MDL Number:
MFCD00009748
IUPAC Name:
1H-benzo[cd]indol-2-one
InChI:
InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChI Key:
GPYLCFQEKPUWLD-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c3c1cccc3ccc2
EC Number:
204-973-4
NSC Number:
25094
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.183g/mol
Monoisotopic Mass:
169.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Design and synthesis of benzo[c,d]indolone-pyrrolobenzodiazepine conjugates as potential anticancer agents. Bioorganic & medicinal chemistry 20120115
Benz[cd]indol-2(1H)-one at 298 and 100 K. Acta crystallographica. Section C, Crystal structure communications 20120101
Design, synthesis and inhibitory activity against Mycobacterium tuberculosis thymidine monophosphate kinase of acyclic nucleoside analogues with a distal imidazoquinolinone. European journal of medicinal chemistry 20101201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Exploring acyclic nucleoside analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase. ChemMedChem 20080701
Novel antitumor agent family of 1H-benzo[c,d]indol-2-one with flexible basic side chains: synthesis and biological evaluation. Bioorganic & medicinal chemistry 20070201
Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. Journal of medicinal chemistry 20061005
Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives. Journal of medicinal chemistry 20031218
Properties