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AZD3676

CAT: 0931-T71103-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71103-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1259929-13-9
Target
Others
Related Pathways
Others
Bioactivity
AZD3676 is a novel dual antagonist of serotonin 5-HT1A and 5-HT1B receptor.
Smiles
C(N(C)C)(=O)C=1OC2=C(C=CC=C2C1)N3CCN(CCC4=CC=CC=N4)CC3
Molecular Formula
C22H26N4O2
Molecular Weight
378.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide

an antagonist of both 5-HT(1A) and 5-HT(1B) receptors; structure in first source

CAS Number1259929-13-9
PubChem CID49848635
IUPAC NameN,N-dimethyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular FormulaC22H26N4O2
Molecular Weight378.5
XLogP3
Topological Polar Surface Area52.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity521
SMILES
CN(C)C(=O)C1=CC2=C(O1)C(=CC=C2)N3CCN(CC3)CCC4=CC=CC=N4
InChI
InChI=1S/C22H26N4O2/c1-24(2)22(27)20-16-17-6-5-8-19(21(17)28-20)26-14-12-25(13-15-26)11-9-18-7-3-4-10-23-18/h3-8,10,16H,9,11-15H2,1-2H3
InChIKey
MKTRMPIBOZYXTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CAS: 1259929-13-9
CID: 49848635
Formula: C22H26N4O2
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass378.20557608
Monoisotopic Mass378.20557608
Topological Polar Surface Area52.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity521
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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