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ML281

CAT: 1568-C07176-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C07176-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1404437-62-2
Target
Serine/threonin kinase
Applications
Cell Cycle
Smiles
CC (C) C1=CC (=C (C=C1) NC (=O) C2=CC=CS2) C3=NC4=CC=CC=C4NC3=O
Molecular Formula
C22H19N3O2S
Additionnal Information
ML281 is a potent and selective inhibitor of Serine/threonine kinase 33 (STK33) with IC50 of 0.014 μM. ML281 is selectively toxic to KRAS-dependent cancer cell lines.
Storage Conditions
3 years -20°C powder

Chemical Information

N-(4-isopropyl-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide

N-[2-(3-oxo-4H-quinoxalin-2-yl)-4-propan-2-ylphenyl]-2-thiophenecarboxamide is an aromatic amide.

CAS Number1404437-62-2
PubChem CID53377448
IUPAC NameN-[2-(3-oxo-4H-quinoxalin-2-yl)-4-propan-2-ylphenyl]thiophene-2-carboxamide
Molecular FormulaC22H19N3O2S
Molecular Weight389.5
XLogP4.3
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity635
SMILES
CC(C)C1=CC(=C(C=C1)NC(=O)C2=CC=CS2)C3=NC4=CC=CC=C4NC3=O
InChI
InChI=1S/C22H19N3O2S/c1-13(2)14-9-10-16(24-21(26)19-8-5-11-28-19)15(12-14)20-22(27)25-18-7-4-3-6-17(18)23-20/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKey
HWOYIOLMBQSTQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-isopropyl-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide
CAS: 1404437-62-2
CID: 53377448
Formula: C22H19N3O2S
MW: 389.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass389.11979803
Monoisotopic Mass389.11979803
Topological Polar Surface Area98.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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