AG00386L

215543-92-3 | 2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic acid

AG00386L

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CAS Number	215543-92-3
Catalog Number	AG00386L(AGN-PC-0QY34N)
Chemical Name	2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic acid
IUPAC Name	3-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
InChI	InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
InChI Key	JNDVEAXZWJIOKB-JYRVWZFOSA-N
MDL Number	MFCD08235144
Molecular Formula	C17H16N2O3
Molecular Weight	296.3205
SMILES	OC(=O)CCc1c([nH]cc1C)C=C1C(=O)Nc2c1cccc2
Synonyms	3-((3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene)-2-inolinone, SU 5402, Su-5402, SU5402, su5402, 215543-92-3, SU 5402, SU-5402, 3-[3-(2-Carboxyethyl)-4-methylpyrrol-2-methylidenyl]-2-indolinone, (Z)-3-(4-methyl-2-((2-oxoindolin-3-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid, CHEMBL89363, 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE, J-502595, 3-{[3-(2-carboxyethyl)-4-methylpyrrol-2-yl]methylene}-2-indolinone, (Z)-3-(4-Methyl-2-((2-oxoindolin-3-ylidene)-methyl)-1H-pyrrol-3-yl)propanoic acid, 3-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid, 3-{4-methyl-2-[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, 2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic acid, CHEBI:63449, PubChem22440, AC1NRD9M, KDR Kinase Inhibitor, 5, MLS006010689, SCHEMBL177917, BDBM4882, DTXSID90415361, SYN1084, 3-(4-methyl-2-((2-oxoindolin-3-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid, BCPP000060, ZINC3815485, ABP000876, RS0048, AKOS015994575, CS-0200, DB08577, ES-0043, QC-8974, SU-5402/SU5402/, AJ-45705, HY-10407, SMR004701670, AB0035835, Y0244, SU-5402, >=98% (HPLC), W-5368, (Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)methylidenyl]indolin-2-one, 3-(4-methyl-2-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid, 3-(4-methyl-2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid, 3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, D0A4XJ, cc-522, JNDVEAXZWJIOKB-JYRVWZFOSA-N, C17H16N2O3, CID5289418, A11558, C105686, 3-((3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene)-2-inolinone, 3-(4-METHYL-2-((Z)-(2-OXOINDOLIN-3-YLIDENE)METHYL)-1H-PYRROL-3-YL)PROPANOIC ACID, SU1,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	296.116g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	296.326g/mol
Monoisotopic Mass	296.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	82.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number