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Chemical structure of EST64454 hydrochloride

GC62959

EST64454 hydrochloride

Also known as 1-[4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone;hydrochloride

EST64454 hydrochloride is a selective and orally active sigma-1 receptor antagonist with a Ki of 22 nM

ChemicalCAS1950569-11-5MW400.85FormulaC18H23ClF2N4O2
CAS number
1950569-11-5
Molecular weight
400.85
Formula
C18H23ClF2N4O2
Solubility
DMSO ： 100 mg/mL (249·47 mM; Need ultrasonic)
InChIKey
YJZGDOPAALDWAT-UHFFFAOYSA-N
Catalogue number
GC62959
Brand
GLPBIO
Computed properties PubChem CID 121418768 · TPSA 50.6 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
50.6 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27

SMILES CC(=O)N1CCN(CC1)CCOCC2=NN(C=C2)C3=CC(=C(C=C3)F)F.Cl

Computed descriptors from PubChem (CID 121418768), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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