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GT 2016

CAT: 0931-T22823-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T22823-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152241-24-2
Target
Histamine Receptor, Others
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Neuroscience, Others
Bioactivity
GT 2016 is a H3 receptor antagonist.
Smiles
C(CCCCC1CCCCC1)(=O)N2CCC(CC2)C3=CN=CN3
Molecular Formula
C19H31N3O
Molecular Weight
317.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GT-2016
CAS Number152241-24-2
PubChem CID9839975
IUPAC Name5-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]pentan-1-one
Molecular FormulaC19H31N3O
Molecular Weight317.5
XLogP4.2
Topological Polar Surface Area49
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity360
SMILES
C1CCC(CC1)CCCCC(=O)N2CCC(CC2)C3=CN=CN3
InChI
InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)
InChIKey
YTCGNPGLMAECND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GT-2016
CAS: 152241-24-2
CID: 9839975
Formula: C19H31N3O
MW: 317.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass317.246712621
Monoisotopic Mass317.246712621
Topological Polar Surface Area49 Ų
Heavy Atom Count23
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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