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Chemical structure of VU 0360223

GC11986

VU 0360223

Also known as 3-fluoro-5-(2-methyl-1,3-benzothiazol-5-yl)benzonitrile

negative allosteric modulator of mGlu5

ChemicalCAS1274859-33-4MW268.31FormulaC15H9FN2S
CAS number
1274859-33-4
Molecular weight
268.31
Formula
C15H9FN2S
Solubility
DMF: 16 mg/ml,DMF:PBS(pH7·2) (1:2): 0·33 mg/ml,DMSO: 10 mg/ml
InChIKey
WDHYUBIJZHYUOV-UHFFFAOYSA-N
Catalogue number
GC11986
Brand
GLPBIO
Computed properties PubChem CID 45103530 · XLogP 4.2 · TPSA 64.9 Ų · H-bond donors 0
XLogP
4.2
TPSA
64.9 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19

SMILES CC1=NC2=C(S1)C=CC(=C2)C3=CC(=CC(=C3)C#N)F

Computed descriptors from PubChem (CID 45103530), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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