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Home > Indoles and Oxindole > 863223-52-3
863223-52-3 | 1H-Pyrrole-2,5-dione, 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-
CAS No: 863223-52-3 Catalog No: AG004IV7 MDL No:
Product Description
Catalog Number:
AG004IV7
Chemical Name:
1H-Pyrrole-2,5-dione, 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-
CAS Number:
863223-52-3
Molecular Formula:
C21H18N2O5
Molecular Weight:
378.3780
IUPAC Name:
3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
InChI Key:
CZGMEOAMQWAJOY-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.122g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.384g/mol
Monoisotopic Mass:
378.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Labeled 3-aryl-4-indolylmaleimide derivatives and their potential as angiogenic PET biomarkers. | Bioorganic & medicinal chemistry 20100115 |
| Design, synthesis, and biological evaluation of novel 3-aryl-4-(1H-indole-3yl)-1,5-dihydro-2H-pyrrole-2-ones as vascular endothelial growth factor receptor (VEGF-R) inhibitors. | Journal of medicinal chemistry 20080710 |
| A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. | Proceedings of the National Academy of Sciences of the United States of America 20071218 |
| Profile and molecular modeling of 3-(indole-3-yl)-4-(3,4,5-trimethoxyphenyl)-1 H-pyrrole-2,5-dione (1) as a highly selective VEGF-R2/3 inhibitor. | Journal of medicinal chemistry 20061214 |
| Design, synthesis, and biological evaluation of 3,4-diarylmaleimides as angiogenesis inhibitors. | Journal of medicinal chemistry 20060223 |
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