WAY-271933 - ≥95% , CAS No.612525-79-8

CAS: 612525-79-8 Cat. No.: W418299 Formule: C₁₅H₁₅N₅O₂S Poids moléculaire: 329.3769 PubChem CID: 830335

GRADE & PURITY ≥95%

Synonyms

2-({4-methyl-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

DOT1L inhibitors

Specifications

Synonymes

2-({4-methyl-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Propriétés du produit

ALogP

1.283

Nombre de HBD

1

Liaison rotative

6

Noms et identifiants

Pubchem Sid

504760245

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760245

Sourires canoniques

CN1C(=NN=C1SCC(=O)N)COC2=CC=CC3=C2N=CC=C3

IUPAC Name

2-[[4-methyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

InChIKey

RUFRDGFDDCXLKA-UHFFFAOYSA-N

INCHI

1S/C15H15N5O2S/c1-20-13(18-19-15(20)23-9-12(16)21)8-22-11-6-2-4-10-5-3-7-17-14(10)11/h2-7H,8-9H2,1H3,(H2,16,21)

Isomères SMILES

CN1C(=NN=C1SCC(=O)N)COC2=CC=CC3=C2N=CC=C3

PubChem CID

830335

Poids moléculaire

329.3769

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Alkylarylthioethers Alkyl aryl ethers Pyridines and derivatives Benzenoids Triazoles Heteroaromatic compounds Primary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Aryl thioether - Alkyl aryl ether - Alkylarylthioether - Pyridine - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 329.400 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 329.095 Da
• Monoisotopic Mass: 329.095 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 413.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 612525-79-8, the molecular formula is C15H15N5O2S, and the molecular weight is 329.3769 g/mol. InChIKey RUFRDGFDDCXLKA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.