WAY-333449 - ≥97% , CAS No.721964-46-1

CAS: 721964-46-1 Cat. No.: W417455 Formule: C₂₀H₁₃FN₆OS₂ Poids moléculaire: 436.49 PubChem CID: 16815081

QUALITÉ & PURETÉ ≥97%

Synonyms

N-(benzo[d]thiazol-2-yl)-2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide

Storage

Room temperature

Vue d’ensemble

inhibitor of protein kinases

Spécifications

Synonymes

N-(benzo[d]thiazol-2-yl)-2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Pureté

≥97%

Propriétés du produit

ALogP

4.326

Nombre de HBD

1

Liaison rotative

5

Noms et identifiants

Pubchem Sid

488199447

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199447

Sourires canoniques

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN4C(=NN=C4C5=CC=C(C=C5)F)C=C3

IUPAC Name

N-(1,3-benzothiazol-2-yl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide

InChIKey

PMLZUMPMDYBWIH-UHFFFAOYSA-N

INCHI

1S/C20H13FN6OS2/c21-13-7-5-12(6-8-13)19-25-24-16-9-10-18(26-27(16)19)29-11-17(28)23-20-22-14-3-1-2-4-15(14)30-20/h1-10H,11H2,(H,22,23,28)

Isomères SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN4C(=NN=C4C5=CC=C(C=C5)F)C=C3

PubChem CID

16815081

Poids moléculaire

436.49

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 436.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 436.058 Da
• Monoisotopic Mass: 436.058 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 610.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 721964-46-1, the molecular formula is C20H13FN6OS2, and the molecular weight is 436.49 g/mol. InChIKey PMLZUMPMDYBWIH-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.