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ML 281

CAT: 0607-B5750-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5750-50Size:50 mg
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Description
serine/threonine kinase STK33 inhibitor
CAS Number
1404437-62-2
Product Name Alternative
N-(4-isopropyl-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide
Field of Research
Others
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
CC(C1=CC(C2=NC3=CC=CC=C3NC2=O)=C(NC(C4=CC=CS4)=O)C=C1)C
Molecular Formula
C22H19N3O2S
Molecular Weight
389.47
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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