Methyl 2-(5-Fluoro-3-indolyl)-2-oxoacetate - CAS 408356-39-8

Catalog:	BB024685
Product Name:	Methyl 2-(5-Fluoro-3-indolyl)-2-oxoacetate
CAS:	408356-39-8
Synonyms:	2-(5-fluoro-1H-indol-3-yl)-2-oxoacetic acid methyl ester; methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate

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Computed Properties

IUPAC Name:	methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate
Description:	Methyl 2-(5-Fluoro-3-indolyl)-2-oxoacetate (CAS# 408356-39-8 ) is a useful research chemical.
Molecular Weight:	221.18
Molecular Formula:	C11H8FNO3
Canonical SMILES:	COC(=O)C(=O)C1=CNC2=C1C=C(C=C2)F
InChI:	InChI=1S/C11H8FNO3/c1-16-11(15)10(14)8-5-13-9-3-2-6(12)4-7(8)9/h2-5,13H,1H3
InChI Key:	YMYPFEWHMRWVDP-UHFFFAOYSA-N
LogP:	1.66270

Publication Number	Title	Priority Date
CN-110903292-A	Multi-target inhibitor acting on QC and GSK-3 Î²	20191127
CN-110950869-A	Preparation method and application of multi-target inhibitor acting on QC and GSK-3 Î²	20191127
WO-2018132636-A1	[18f]maleimide-based glycogen synthase kinase-3beta ligands for positron emission tomography imaging and radiosynthesis method	20170112
CN-104744484-A	3-furan[2,3-b] pyridine-4-indol maleimide derivatives as well as preparation and application thereof	20150325
DE-60103171-T2	METHOD AND LINKS FOR TREATING PROLIFERATIVE DISEASES	20000929

PMID	Publication Date	Title	Journal
21580044	20091216	Methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate	Acta crystallographica. Section E, Structure reports online

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Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.04882128
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.04882128
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9