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Chemical structure of MELK-8a hydrochloride

GC32736

MELK-8a hydrochloride

Also known as 1-methyl-4-[4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine;hydrochloride

MELK-8a hydrochloride is a novel maternal embryonic leucine zipper kinase (MELK) inhibitor with an IC50 of 2 nM

ChemicalCAS2096992-20-8MW469.02FormulaC25H33ClN6O
CAS number
2096992-20-8
Molecular weight
469.02
Formula
C25H33ClN6O
Solubility
Water ： ≥ 100 mg/mL (213·21 mM);DMSO ： 8·6 mg/mL (18·34 mM)
InChIKey
AFGMSRRNYDSRPT-UHFFFAOYSA-N
Catalogue number
GC32736
Brand
GLPBIO
Computed properties PubChem CID 126843227 · TPSA 58.5 Ų · H-bond donors 2 · H-bond acceptors 6
TPSA
58.5 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33

SMILES CN1CCN(CC1)C2=CC=C(C=C2)N3C=C(C=N3)C4=C(C=NC=C4)OCC5CCNCC5.Cl

Computed descriptors from PubChem (CID 126843227), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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