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Chemical structure of FR 122047 hydrochloride

GC16881

FR 122047 hydrochloride

Also known as [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride

FR 122047 hydrochloride (hydrochloride) is a selective and oral active inhibitor of COX-1 with an IC50 of 28 nM

ChemicalCAS130717-51-0MW459.99FormulaC23H25N3O3S·HCl
CAS number
130717-51-0
Molecular weight
459.99
Formula
C23H25N3O3S·HCl
Solubility
＜4·6mg/ml in Water
InChIKey
YWMAVHIKOAOSFM-UHFFFAOYSA-N
Catalogue number
GC16881
Brand
GLPBIO
Computed properties PubChem CID 196840 · TPSA 83.1 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
83.1 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31

SMILES CN1CCN(CC1)C(=O)C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.Cl

Computed descriptors from PubChem (CID 196840), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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