Products for Research Use Only
RegisterLogin

ML162-yne

CAT: 0013-GTR19240938-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19240938-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ML162-yne is a potent and selective GPX4 inhibitor, featuring an alkyne handle for click-chemistry conjugation with azide probes. It is widely used in chemical biology and cancer research to study ferroptosis both in vitro and in vivo.
CAS Number
2883115-46-4
Field of Research
Metabolism Research
Purity
99.53% (May vary between batches)
Solubility
DMSO:80 mg/mL (159.54 mM)
Smiles
O=C (NCCC=1C=CC=CC1) C (C=2SC=CC2) N (C (=O) CCl) C3=CC=C (OCC#C) C (Cl) =C3
Molecular Formula
C25H22Cl2N2O3S
Molecular Weight
501.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ML162-yne
CAS Number2883115-46-4
PubChem CID145865959
IUPAC Name2-(3-chloro-N-(2-chloroacetyl)-4-prop-2-ynoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
Molecular FormulaC25H22Cl2N2O3S
Molecular Weight501.4
XLogP5.3
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity694
SMILES
C#CCOC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl
InChI
InChI=1S/C25H22Cl2N2O3S/c1-2-14-32-21-11-10-19(16-20(21)27)29(23(30)17-26)24(22-9-6-15-33-22)25(31)28-13-12-18-7-4-3-5-8-18/h1,3-11,15-16,24H,12-14,17H2,(H,28,31)
InChIKey
AFUOBFISLHQJJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML162-yne
CAS: 2883115-46-4
CID: 145865959
Formula: C25H22Cl2N2O3S
MW: 501.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.4
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass500.0728191
Monoisotopic Mass500.0728191
Topological Polar Surface Area86.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity694
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19166970-01ML162
GTR19341512-01CY3-YNE
GTR19340494-01CY5-YNE
GTR19340414-01Cy7-YNE
GTR19282578-01Yne-ACR
GTR19340493-01CY5-YNE triethylamine
GTR19277397-01BB-Cl-Yne
GTR19275226-016-Bromohex-1-yne
GTR19272639-017-Bromohept-1-yne
GTR19268522-01Nonadecynoic acid (18-yne)

Alternative Products

CatalogName
BA3448-50ML162-yne
HY-100002-01ML162
A22418-25ML162 25mg
A22418-10ML162 10mg
HY-100002RML162 (Standard)
A22418-100ML162 100mg

Popular Products