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MDL 29951

CAT: 1410-M11231-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M11231-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MDL-29951 is a novel glycine antagonist of NMDA receptor activation (Ki=0.14 mM, [3H]glycine binding) in vitro and in vivo.
CAS Number
130798-51-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
302.11
Molecular Formula
C12H9Cl2NO4
Notes
Research use only, not for human use.
Receptor
NMDA receptor

Chemical Information

Mdl-29951
CAS Number130798-51-5
PubChem CID446916
IUPAC Name3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
Molecular FormulaC12H9Cl2NO4
Molecular Weight302.11
XLogP2.9
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity379
SMILES
C1=C(C=C(C2=C1NC(=C2CCC(=O)O)C(=O)O)Cl)Cl
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)
InChIKey
KNBSYZNKEAWABY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mdl-29951
CAS: 130798-51-5
CID: 446916
Formula: C12H9Cl2NO4
MW: 302.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.11
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass300.9908632
Monoisotopic Mass300.9908632
Topological Polar Surface Area90.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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