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Chemical structure of CTEP (RO4956371)

GC16619

CTEP (RO4956371)

Also known as 2-chloro-4-[2-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]ethynyl]pyridine

CTEP (RO4956371) (RO 4956371) is a novel, long-acting, orally bioavailable allosteric antagonist ofmGlu5receptor withIC50of 2·2 nM, and shows > 1000-fold selectivity over other mGlu receptors

ChemicalCAS871362-31-1MW391.77FormulaC19H13ClF3N3O
CAS number
871362-31-1
Molecular weight
391.77
Formula
C19H13ClF3N3O
Solubility
≥ 19·6mg/mL in DMSO
InChIKey
GOHCTCOGYKAJLZ-UHFFFAOYSA-N
Catalogue number
GC16619
Brand
GLPBIO
Computed properties PubChem CID 11646823 · XLogP 5.6 · TPSA 39.9 Ų · H-bond donors 0
XLogP
5.6
TPSA
39.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27

SMILES CC1=C(N=C(N1C2=CC=C(C=C2)OC(F)(F)F)C)C#CC3=CC(=NC=C3)Cl

Computed descriptors from PubChem (CID 11646823), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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