CHZ868 - Moligand™,≥98% , CAS No.1895895-38-1

CAS: 1895895-38-1 Cat. No.: C650952 Formula: C₂₂H₁₉F₂N₅O₂ Molecular Weight: 423.42 PubChem CID: 91885989

GRADE & PURITY Moligand™, ≥98%

Synonyms

CHZ 868 | CHZ-868 | N-(4-((2-((2,4-Difluorophenyl)amino)-1,4-dimethyl-1H-benzo[d]imidazol-5-yl)oxy)pyridin-2-yl)acetamide | N-[4-[[2-[(2,4-Difluorophenyl)amino]-1,4-dimethyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide | NVP-CHZ 868 | NVP-CHZ-868 | NVP

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

CHZ 868 | CHZ-868 | N-(4-((2-((2,4-Difluorophenyl)amino)-1,4-dimethyl-1H-benzo[d]imidazol-5-yl)oxy)pyridin-2-yl)acetamide | N-[4-[[2-[(2,4-Difluorophenyl)amino]-1,4-dimethyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide | NVP-CHZ 868 | NVP-CHZ-868 | NVP

Specifications & Purity

Moligand™,≥98%

Biochemical and Physiological Mechanisms

CHZ868 is a type II JAK2 inhibitor with an IC 50 of 0.17 μM in EPOR JAK2 WT Ba/F3 cell.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Canonical Smiles

CC1=C(C=CC2=C1N=C(N2C)NC3=C(C=C(C=C3)F)F)OC4=CC(=NC=C4)NC(=O)C

IUPAC Name

N-[4-[2-(2,4-difluoroanilino)-1,4-dimethylbenzimidazol-5-yl]oxypyridin-2-yl]acetamide

InChIKey

KQQLBXFPTDVFAJ-UHFFFAOYSA-N

INCHI

1S/C22H19F2N5O2/c1-12-19(31-15-8-9-25-20(11-15)26-13(2)30)7-6-18-21(12)28-22(29(18)3)27-17-5-4-14(23)10-16(17)24/h4-11H,1-3H3,(H,27,28)(H,25,26,30)

Isomeric SMILES

CC1=C(C=CC2=C1N=C(N2C)NC3=C(C=C(C=C3)F)F)OC4=CC(=NC=C4)NC(=O)C

PubChem CID

91885989

MeSH Entry Terms

CHZ868

Molecular Weight

423.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: N-acetylarylamines Benzimidazoles Aniline and substituted anilines Fluorobenzenes Pyridines and derivatives Aminoimidazoles N-substituted imidazoles Imidolactams Aryl fluorides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - N-acetylarylamine - Benzimidazole - N-arylamide - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aminoimidazole - Aryl fluoride - N-substituted imidazole - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Imidazole - Azole - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Secondary amine - Organoheterocyclic compound - Azacycle - Amine - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (236.17 mM; Need ultrasonic)
• Molecular Weight: 423.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 423.151 Da
• Monoisotopic Mass: 423.151 Da
• Topological Polar Surface Area: 81.100 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 629.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1