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SU14813

CAT: 0607-A3844-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3844-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tyrosine kinase inhibitor
CAS Number
627908-92-3
Product Name Alternative
(Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-N-(2-hydroxy-3-morpholinopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
Sequence
SU-14813;SU 14813
Field of Research
Tyrosine Kinase PTKs RTKs
Purity
0.98
Solubility
insoluble in EtOH; insoluble in H2O; ≥15.26 mg/mL in DMSO
Smiles
CC1=C(/C=C2C3=C(NC/2=O)C=CC(F)=C3)NC(C)=C1C(NCC(O)CN4CCOCC4)=O
Molecular Formula
C23H27FN4O4
Molecular Weight
442.48
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

5-[((3Z)-5-Fluoro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid [2-hydroxy-3-(morpholin-4-yl)propyl]amide
CAS Number627908-92-3
PubChem CID10138260
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular FormulaC23H27FN4O4
Molecular Weight442.5
XLogP0.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity729
SMILES
CC1=C(NC(=C1C(=O)NCC(CN2CCOCC2)O)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O
InChI
InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-
InChIKey
CTNPALGJUAXMMC-ZDLGFXPLSA-N
Chemical Structure
2D Structure
2D structure of 5-[((3Z)-5-Fluoro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid [2-hydroxy-3-(morpholin-4-yl)propyl]amide
CAS: 627908-92-3
CID: 10138260
Formula: C23H27FN4O4
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass442.20163352
Monoisotopic Mass442.20163352
Topological Polar Surface Area107 Ų
Heavy Atom Count32
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3605372-01SU14813
TQ0080SU14813 maleate
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A11557-5SU14813 5mg
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