Gsk-J4 hydrochloride

C₂₄H₂₈ClN₅O₂CAS 1797983-09-5453.97 g/mol

Open in Covalent MOL file

Ester Secondary amine Tertiary amine

Properties

Molecular formula: C₂₄H₂₈ClN₅O₂
Molar mass: 453.97 g/mol
Exact mass: 453.1932 Da
logP: 3.93Crippen 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

1797983-09-5

SMILES

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

InChIKey

TYXWLTBYINKVNT-UHFFFAOYSA-N

InChI

InChI=1S/C24H27N5O2.ClH/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);1H

Weigh it out

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Work with Gsk-J4 hydrochloride

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-J41373423-53-0Free base

Similar compounds

Gsk-J11373422-53-767 % similar N-2-Pyridinyl-beta-alanine ethyl ester103041-38-952 % similar N-(3-Amino-4-(methylamino)benzoyl)-N-2-pyridinyl-beta-alanine ethyl ester212322-56-036 % similar Ethyl 2-pyridylacetate2739-98-236 % similar 3-(2-Bromo-phenyl)-propionic acid ethyl ester135613-33-135 % similar N-(Phenylmethyl)-β-alanine ethyl ester23583-21-335 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-134 % similar Ethyl 3-phenylpropanoate2021-28-534 % similar

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

Elsewhere

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