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BAK2-66

CAT: 0931-T23771-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T23771-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1301178-83-5
Target
Dopamine Receptor, Others
Related Pathways
Neuroscience, Others, GPCR/G Protein
Bioactivity
BAK2-66 is a selective antagonist of the dopamine D3 receptor.
Smiles
C(NCCC(CN1CCN(CC1)C2=C(Cl)C(Cl)=CC=C2)F)(=O)C3=CC=4C(O3)=CC=CC4
Molecular Formula
C23H24Cl2FN3O2
Molecular Weight
464.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-fluorobutyl)-benzofuran-2-carboxamide
CAS Number1301178-83-5
PubChem CID53248209
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-fluorobutyl]-1-benzofuran-2-carboxamide
Molecular FormulaC23H24Cl2FN3O2
Molecular Weight464.4
XLogP5.6
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity593
SMILES
C1CN(CCN1CC(CCNC(=O)C2=CC3=CC=CC=C3O2)F)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
InChIKey
LRBUVURCWWAQQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-fluorobutyl)-benzofuran-2-carboxamide
CAS: 1301178-83-5
CID: 53248209
Formula: C23H24Cl2FN3O2
MW: 464.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.4
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass463.1229606
Monoisotopic Mass463.1229606
Topological Polar Surface Area48.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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