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130798-51-5 | 1H-Indole-3-propanoic acid, 2-carboxy-4,6-dichloro-
CAS No: 130798-51-5 Catalog No: AG000UY3 MDL No:MFCD00897722
Product Description
Catalog Number:
AG000UY3
Chemical Name:
1H-Indole-3-propanoic acid, 2-carboxy-4,6-dichloro-
CAS Number:
130798-51-5
Molecular Formula:
C12H9Cl2NO4
Molecular Weight:
302.1102
MDL Number:
MFCD00897722
IUPAC Name:
3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
InChI Key:
KNBSYZNKEAWABY-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c([nH]c2c1c(Cl)cc(c2)Cl)C(=O)O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.107g/mol
Monoisotopic Mass:
300.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid: an allosteric inhibitor of fructose-1,6-bisphosphatase at the AMP site. | Bioorganic & medicinal chemistry letters 20030616 |
| 3'-(Arylmethyl)- and 3'-(aryloxy)-3-phenyl-4-hydroxyquinolin-2(1H)-ones: orally active antagonists of the glycine site on the NMDA receptor. | Journal of medicinal chemistry 19940513 |
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