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SU11652

CAT: 0926-FC160139-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FC160139-04Size:10 mg
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CAS Number
326914-10-7
Synonyms
5-[ (Z) - (5-Chloro-1, 2-dihydro-2-oxo-3H-indol-3- ylidene) methyl]-N-[2- (diethylamino) ethyl]-2, 4-dimethyl-1H-pyrrole-3-carboxamide
MDL Number
MFCD09037560
Smiles
CCN (CC) CCNC (=O) C1=C (NC (=C1C) /C=C\2/C3=C (C=CC (=C3) Cl) NC2=O) C
Molecular Formula
C22H27ClN4O2
Molecular Weight
414.93 g/mol
Controlled
No

Chemical Information

SU-11652

SU11652 is a member of the class of pyrrolecarboxamides obtained by formal condensation of the carboxy group of 5-[(Z)-(5-chloro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxylic acid with the primary amino group of N1,N1-diethylethane-1,2-diamine. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor. It is an organochlorine compound, a member of oxindoles, a pyrrolecarboxamide, a tertiary amino compound and an olefinic compound. It is functionally related to a 3-methyleneoxindole.

CAS Number326914-10-7
PubChem CID5329103
IUPAC Name5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular FormulaC22H27ClN4O2
Molecular Weight414.9
XLogP3.2
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity636
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)Cl)NC2=O)C
InChI
InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKey
XPLJEFSRINKZLC-ATVHPVEESA-N
Chemical Structure
2D Structure
2D structure of SU-11652
CAS: 326914-10-7
CID: 5329103
Formula: C22H27ClN4O2
MW: 414.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.9
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass414.1822538
Monoisotopic Mass414.1822538
Topological Polar Surface Area77.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3012-25SU11652

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