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ML281

CAT: 0013-GTR19172305-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172305-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML281 is a highly selective small molecule inhibitor of STK33, demonstrating potent activity with an IC50 of 14 nM. It is a valuable research tool for studying STK33 function in cancer biology and has been utilized in both in vitro cellular assays and in vivo xenograft models to investigate oncogenic signaling pathways.
CAS Number
1404437-62-2
Product Name Alternative
Inhibitor, ML 281, ML281, ML-281, inhibit, SerineProtease, Serine Protease, STK33
Field of Research
Protein Biochemistry
Purity
99.12% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:50 mg/mL (128.38 mM)
Smiles
CC (C) c1ccc (NC (=O) c2cccs2) c (c1) -c1nc2ccccc2[nH]c1=O
Molecular Formula
C22H19N3O2S
Molecular Weight
389.47
Storage Conditions
-20°C
Notes
For research use only.

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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