ML162-yne

CAT: 0931-T203712-02Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T203712-02Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2883115-46-4

Target

GPX

Related Pathways

Oxidation-Reduction

Purity

0.9953

Bioactivity

ML162-yne is an effective GPX4 inhibitor and affinity probe containing an alkyne group capable of click chemistry reactions with azide-containing molecules.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ML162-yne

CAS Number	2883115-46-4
PubChem CID	145865959
IUPAC Name	2-(3-chloro-N-(2-chloroacetyl)-4-prop-2-ynoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
Molecular Formula	C25H22Cl2N2O3S
Molecular Weight	501.4
XLogP	5.3
Topological Polar Surface Area	86.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	33
Formal Charge	0
Complexity	694

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

CAS: 2883115-46-4

CID: 145865959

Formula: C25H22Cl2N2O3S

MW: 501.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	501.4
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	500.0728191
Monoisotopic Mass	500.0728191
Topological Polar Surface Area	86.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	694
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T8970-01	ML162
T18944-01	CY3-YNE
T212589-01	Yne-ACR
T18950-01	CY5-YNE
T18955-01	Cy7-YNE
T211443-01	CY5-YNE triethylamine
T36632-01	BB-Cl-Yne
T36633-01	BB-F-Yne
T35562-01	Nat-20 (S) -yne
T202279-01	Cy5-Yne triethylamine salt

Alternative Products

Catalog	Name
GTR19240938-01	ML162-yne
HY-100002-01	ML162
A22418-25	ML162 25mg
A22418-10	ML162 10mg
HY-100002R	ML162 (Standard)
A22418-100	ML162 100mg

ML162-yne

Chemical Information

Related Products

Alternative Products

Popular Products