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Chemical structure of PKM2-IN-3

GC70831

PKM2-IN-3

Also known as (4E)-4-[(4-ethylphenyl)methylidene]-6,8-dimethoxy-2,3-dihydro-1-benzoxepin-5-one

PKM2-IN-3 is an inhibitor of PKM2 kinase with an IC50 value of 4·1 μM

ChemicalCAS2408841-19-8MW338.4FormulaC21H22O4
CAS number
2408841-19-8
Molecular weight
338.4
Formula
C21H22O4
Solubility
DMSO ： 200 mg/mL (591·02 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
BQNYBXFXLMWECE-LFIBNONCSA-N
Catalogue number
GC70831
Brand
GLPBIO
Computed properties PubChem CID 163321261 · XLogP 4.5 · TPSA 44.8 Ų · H-bond donors 0
XLogP
4.5
TPSA
44.8 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25

SMILES CCC1=CC=C(C=C1)/C=C/2\CCOC3=C(C2=O)C(=CC(=C3)OC)OC

Computed descriptors from PubChem (CID 163321261), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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