Gsk-J4

C₂₄H₂₇N₅O₂CAS 1373423-53-0417.51 g/mol

Open in Covalent MOL file

Ester Secondary amine Tertiary amine

Properties

Molecular formula: C₂₄H₂₇N₅O₂
Molar mass: 417.51 g/mol
Exact mass: 417.2165 Da
logP: 3.51Crippen estimate
Polar surface area: 80.2 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1373423-53-0

SMILES

CCOC(=O)CCNC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC4=CC=CC=C4CC3

InChIKey

WBKCKEHGXNWYMO-UHFFFAOYSA-N

InChI

InChI=1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Gsk J4 hcl

Work with Gsk-J4

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Gsk-J4 hydrochloride1797983-09-5Salt

Similar compounds

Gsk-J11373422-53-770 % similar N-2-Pyridinyl-beta-alanine ethyl ester103041-38-955 % similar Ethyl 2-pyridylacetate2739-98-238 % similar N-(3-Amino-4-(methylamino)benzoyl)-N-2-pyridinyl-beta-alanine ethyl ester212322-56-037 % similar 3-(2-Bromo-phenyl)-propionic acid ethyl ester135613-33-137 % similar N-(Phenylmethyl)-β-alanine ethyl ester23583-21-336 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-136 % similar Ethyl 3-phenylpropanoate2021-28-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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