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

CAS: 721964-46-1 Cat. No.: W417455 分子式: C₂₀H₁₃FN₆OS₂ 分子量: 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

概要

inhibitor of protein kinases

Specifications

同義語

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

仕様と純度

≥97%

保管条件

Room temperature

純度

≥97%

製品の性質

ALogP

4.326

HBD数

1

回転可能な結合

5

名前と識別子

パブケム・シド

488199447

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

PubChem CID

16815081

分子量

436.49

化学的性質と物理的性質

• DMSO（mM） 最大溶解度: 10
• 分子量: 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

よくある質問

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.