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GSK J4 HCl

CAT: 0244-S7070-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0244-S7070-10mgSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1797983-09-5

Chemical Information

GSK-J4 hydrochloride
CAS Number1797983-09-5
PubChem CID71729974
IUPAC Nameethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate;hydrochloride
Molecular FormulaC24H28ClN5O2
Molecular Weight454.0
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity546
SMILES
CCOC(=O)CCNC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC4=CC=CC=C4CC3.Cl
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
InChIKey
TYXWLTBYINKVNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GSK-J4 hydrochloride
CAS: 1797983-09-5
CID: 71729974
Formula: C24H28ClN5O2
MW: 454.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass453.1931528
Monoisotopic Mass453.1931528
Topological Polar Surface Area80.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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