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H3R antagonist 1

CAT: 0013-GTR19239299-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239299-01Size:25 mg
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Description
H3R-IN-1 is a potent and selective inverse agonist of the histamine H3 receptor. It is a valuable research tool for studying H3R function in neurological disorders, supporting both in vitro binding assays and in vivo models of cognition and sleep-wake regulation.
CAS Number
1448422-61-4
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
N=1OC (=NC1C=2C=CC=3OCOC3C2) CC4CCN (CC4) C5CCC5
Molecular Formula
C19H23N3O3
Molecular Weight
341.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Benzo[d][1,3]dioxol-5-yl)-5-((1-cyclobutylpiperidin-4-yl)methyl)-1,2,4-oxadiazole
CAS Number1448422-61-4
PubChem CID71664257
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-[(1-cyclobutylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
Molecular FormulaC19H23N3O3
Molecular Weight341.4
XLogP3.6
Topological Polar Surface Area60.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity453
SMILES
C1CC(C1)N2CCC(CC2)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C19H23N3O3/c1-2-15(3-1)22-8-6-13(7-9-22)10-18-20-19(21-25-18)14-4-5-16-17(11-14)24-12-23-16/h4-5,11,13,15H,1-3,6-10,12H2
InChIKey
ATGQONNRRWKPGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Benzo[d][1,3]dioxol-5-yl)-5-((1-cyclobutylpiperidin-4-yl)methyl)-1,2,4-oxadiazole
CAS: 1448422-61-4
CID: 71664257
Formula: C19H23N3O3
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass341.17394160
Monoisotopic Mass341.17394160
Topological Polar Surface Area60.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity453
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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