Raf265 derivative - 10mM in DMSO , CAS No.1942849-27-5

CAS: 1942849-27-5 Cat. No.: R492064 Formula: C₂₃H₁₄F₆N₆O Peso molecolare: 504.39 PubChem CID: 23654923

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Raf265 derivative, however, the effects of this derivative are not known.

Specifiche

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

ALogP

6.263

Conteggio HBD

3

Legame rotabile

7

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC=C1C(F)(F)F)NC2=NC3=C(N2)C=C(C=C3)OC4=CC(=NC=C4)C5=NC=C(N5)C(F)(F)F

IUPAC Name

6-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine

InChIKey

UDNNLEQKNPVZON-UHFFFAOYSA-N

INCHI

1S/C23H14F6N6O/c24-22(25,26)12-1-3-13(4-2-12)32-21-33-16-6-5-14(9-17(16)34-21)36-15-7-8-30-18(10-15)20-31-11-19(35-20)23(27,28)29/h1-11H,(H,31,35)(H2,32,33,34)

Isomeri SMILES

C1=CC(=CC=C1C(F)(F)F)NC2=NC3=C(N2)C=C(C=C3)OC4=CC(=NC=C4)C5=NC=C(N5)C(F)(F)F

PubChem CID

23654923

Peso molecolare

504.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Trifluoromethylbenzenes Benzimidazoles Phenol ethers Aniline and substituted anilines Pyridines and derivatives Aminoimidazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Trifluoromethylbenzene - Benzimidazole - Phenol ether - Aniline or substituted anilines - Aminoimidazole - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Secondary amine - Organoheterocyclic compound - Azacycle - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 101
• DMSO (mM) Solubilità massima: 200.24
• Peso molecolare: 504.400 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 504.113 Da
• Monoisotopic Mass: 504.113 Da
• Topological Polar Surface Area: 91.500 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 733.000
• 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