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Chemical structure of ML162-yne

GC69473

ML162-yne

Also known as 2-(3-chloro-N-(2-chloroacetyl)-4-prop-2-ynoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

ML162-yne is an effective GPX4 inhibitor affinity probe

ChemicalCAS2883115-46-4MW501.42FormulaC25H22Cl2N2O3S
CAS number
2883115-46-4
Molecular weight
501.42
Formula
C25H22Cl2N2O3S
Solubility
DMSO ： 100 mg/mL (199·43 mM; Need ultrasonic)
InChIKey
AFUOBFISLHQJJJ-UHFFFAOYSA-N
Catalogue number
GC69473
Brand
GLPBIO
Computed properties PubChem CID 145865959 · XLogP 5.3 · TPSA 86.9 Ų · H-bond donors 1
XLogP
5.3
TPSA
86.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
33

SMILES C#CCOC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl

Computed descriptors from PubChem (CID 145865959), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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