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CH-223191

CAT: 0957-S7711-01Size: 10 mgDry Ice: YesHazardous: No
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CAT#:0957-S7711-01Size:10 mg
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Description
CH-223191 is a potent and specific aryl hydrocarbon receptor (AhR) antagonist with IC50 of 30 nM.
CAS Number
301326-22-7
Target
AhR
Activity
Immunology & Inflammation
Molecular Formula
C19H19N5O
Storage Conditions
2 years -80 in solvent

Chemical Information

2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide

structure in first source

CAS Number301326-22-7
PubChem CID3091786
IUPAC Name2-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]pyrazole-3-carboxamide
Molecular FormulaC19H19N5O
Molecular Weight333.4
XLogP3.9
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity482
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=O)C3=CC=NN3C)C
InChI
InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)
InChIKey
LKTNEXPODAWWFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide
CAS: 301326-22-7
CID: 3091786
Formula: C19H19N5O
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass333.15896025
Monoisotopic Mass333.15896025
Topological Polar Surface Area71.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity482
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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Alternative Products

CatalogName
A8609-10CH 223191
inh-ch22-2CH-223191

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