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Mdl 29951

CAS No.:
130798-51-5
Catalog Number:
AG000UY3
Molecular Formula:
C12H9Cl2NO4
Molecular Weight:
302.1102
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$179
- +
5mg
≥98%
1 week
United States
$329
- +
10mg
≥98%
1 week
United States
$540
- +
50mg
99%
1 week
United States
$1557
- +
100mg
99%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG000UY3
Chemical Name:
Mdl 29951
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
Properties