SU9516

Base Information

• Chemical Name: SU9516
• CAS No.: 377090-84-1
• Molecular Formula: C13H11N3O2
• Molecular Weight: 241.249
• UNII: FD2SWT2SDI
• DSSTox Substance ID: DTXSID401020706
• Nikkaji Number: J1.595.787E
• Wikidata: Q27088891
• Pharos Ligand ID: 8QR6A8FR13YG
• Metabolomics Workbench ID: 147947
• ChEMBL ID: CHEMBL258805
• Mol file: 377090-84-1.mol

Synonyms:3-(1-(3H-Imidazol-4-yl)-meth-(Z)-ylidene)-5-methoxy-1,3-dihydro-indol-2-one;SU 9516;SU9516

Chemical Property of SU9516

Chemical Property:

• Vapor Pressure: 2E-14mmHg at 25°C
• Boiling Point: 601.5°C at 760 mmHg
• Flash Point: 317.6°C
• PSA: 67.01000
• Density: 1.383g/cm³
• LogP: 2.04900
• Storage Temp.: Store at +4°C
• Solubility.: DMSO: ~17 mg/mL
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.085126602
• Heavy Atom Count: 18
• Complexity: 369

Purity/Quality:

98% min ^*data from raw suppliers

SU9516 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C2=CC3=CN=CN3
• Isomeric SMILES: COC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=CN=CN3
• Uses: SU 9516 is a 3-substituted indolinone CDK inhibitor with potent and selective inhibition towards cyclin-dependant kinases.