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

CAS: 721964-46-1 Cat. No.: W417455 Formula: C₂₀H₁₃FN₆OS₂ Molecular Weight: 436.49 PubChem CID: 16815081

GRADE & PURITY ≥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

Overview

inhibitor of protein kinases

Specifications

Synonyms

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

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Product Properties

• ALogP: 4.326
• HBD Count: 1
• Rotatable Bond: 5

Names and Identifiers

• Pubchem Sid: 488199447
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199447
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN4C(=NN=C4C5=CC=C(C=C5)F)C=C3
• PubChem CID: 16815081
• Molecular Weight: 436.49

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 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

Frequently Asked 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.