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Home Other Building Blocks 2-Chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)pyridine

2-Chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)pyridine

CAS No.:
802906-73-6
Catalog Number:
AG00G3O2
Molecular Formula:
C18H13ClFN3
Molecular Weight:
325.7673
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00G3O2
Chemical Name:
2-Chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)pyridine
CAS Number:
802906-73-6
Molecular Formula:
C18H13ClFN3
Molecular Weight:
325.7673
MDL Number:
MFCD25976719
IUPAC Name:
2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine
InChI:
InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3
InChI Key:
UPZWINBEAHDTLA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(C)nc(c1C)C#Cc1ccnc(c1)Cl
UNII:
3110E3AO8S
Properties
Complexity:
465  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.078g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.771g/mol
Monoisotopic Mass:
325.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Metabotropic glutamate receptor 5 negative allosteric modulators: discovery of 2-chloro-4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-ylethynyl]pyridine (basimglurant, RO4917523), a promising novel medicine for psychiatric diseases. Journal of medicinal chemistry 20150212
CTEP: a novel, potent, long-acting, and orally bioavailable metabotropic glutamate receptor 5 inhibitor. The Journal of pharmacology and experimental therapeutics 20111101
Properties