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MRK-623

CAT: 0013-GTR19187385-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187385-02Size:50 mg
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Description
MRK-623 (Compound 14k) is an orally bioavailable, potent GABA A receptor agonist with high affinity for α1, α2, α3, and α5 subunits. It has demonstrated anxiolytic activity in preclinical research, making it a useful tool for in vitro and in vivo studies of anxiety-related neuropharmacology.
CAS Number
461449-78-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C) (C) (O) C1=NC=2N (C (=CN2) C3=CC (=C (F) C=C3) C=4C=CC=NC4) C=C1
Molecular Formula
C20H17FN4O
Molecular Weight
348.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3-(4-Fluoro-3-(pyridin-3-yl)phenyl)imidazo[1,2-a]pyrimidin-7-yl)propan-2-ol
CAS Number461449-78-5
PubChem CID9906309
IUPAC Name2-[3-(4-fluoro-3-pyridin-3-ylphenyl)imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol
Molecular FormulaC20H17FN4O
Molecular Weight348.4
XLogP3.2
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity490
SMILES
CC(C)(C1=NC2=NC=C(N2C=C1)C3=CC(=C(C=C3)F)C4=CN=CC=C4)O
InChI
InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3
InChIKey
GFQMHVYMEKXHDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-(4-Fluoro-3-(pyridin-3-yl)phenyl)imidazo[1,2-a]pyrimidin-7-yl)propan-2-ol
CAS: 461449-78-5
CID: 9906309
Formula: C20H17FN4O
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass348.13863934
Monoisotopic Mass348.13863934
Topological Polar Surface Area63.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity490
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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