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Home > Indoles and Oxindole > 130-00-7
130-00-7 | Benzo[cd]indol-2(1H);-one
CAS No: 130-00-7 Catalog No: AG000TUX MDL No:MFCD00009748
Product Description
Catalog Number:
AG000TUX
Chemical Name:
Benzo[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 |
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