(E)-(4-(2-(1H-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone

Base Information

• Chemical Name: (E)-(4-(2-(1H-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone
• CAS No.: 1000669-72-6
• Molecular Formula: C20H20N4O
• Molecular Weight: 332.405
• UNII: 2D9N67F58G
• ChEMBL ID: CHEMBL1908397
• DSSTox Substance ID: DTXSID701026046
• NCI Thesaurus Code: C116858
• Pharos Ligand ID: 67N2T4DQ5TAN
• Wikidata: Q72487076
• Mol file: 1000669-72-6.mol

Synonyms:KW 2449;KW-2449;KW2449

Chemical Property of (E)-(4-(2-(1H-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone

Chemical Property:

• Boiling Point: 604.093 °C at 760 mmHg
• PKA: 13.76±0.40(Predicted)
• Flash Point: 319.144 °C
• PSA: 61.02000
• Density: 1.281 g/cm³
• LogP: 3.04540
• Storage Temp.: -20°C
• Solubility.: Soluble in DMSO (>25 mg/ml)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 332.16371127
• Heavy Atom Count: 25
• Complexity: 480

Purity/Quality:

99% ^*data from raw suppliers

(E)-(4-(2-(1H-Indazol-3-yl)vinyl)-phenyl)(piperazin-1-yl)methanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)C2=CC=C(C=C2)C=CC3=NNC4=CC=CC=C43
• Isomeric SMILES: C1CN(CCN1)C(=O)C2=CC=C(C=C2)/C=C/C3=NNC4=CC=CC=C43
• Recent ClinicalTrials: An Ascending Dose Study of KW-2449 in Acute Leukemias, Myelodysplastic Syndromes, and Chronic Myelogenous Leukemia
• Description: KW-2449 is a potent multikinase inhibitor (IC50’s: FLT3 = 7 nM, FGFR1 = 36 nM, Abl = 14 nM, Abl-T315 = 4 nM) with anti-leukemic effects.1,2,3