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ABT-670

CAT: 0931-T14088-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T14088-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
630119-43-6
Target
Dopamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
ABT-670 is a selective agonist of dopamine D4 receptor. For human D4, ferret D4, and rat D4, the EC50 values are 89 nM, 160 nM, and 93 nM , respectively.
Smiles
O=N=1C(C2CCN(CNC(=O)C3=CC(C)=CC=C3)CC2)=CC=CC1
Molecular Formula
C19H23N3O2
Molecular Weight
325.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Methyl-n-(1-oxy-3',4',5',6'-tetrahydro-2'h-(2,4'-bipyridine)-1'-ylmethyl)benzamide
CAS Number630119-43-6
PubChem CID16094676
IUPAC Name3-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide
Molecular FormulaC19H23N3O2
Molecular Weight325.4
XLogP1.9
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity409
SMILES
CC1=CC(=CC=C1)C(=O)NCN2CCC(CC2)C3=CC=CC=[N+]3[O-]
InChI
InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)19(23)20-14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)
InChIKey
PUMMPCXNEPHBNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-n-(1-oxy-3',4',5',6'-tetrahydro-2'h-(2,4'-bipyridine)-1'-ylmethyl)benzamide
CAS: 630119-43-6
CID: 16094676
Formula: C19H23N3O2
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass325.17902698
Monoisotopic Mass325.17902698
Topological Polar Surface Area57.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity409
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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