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Bradanicline

CAT: 0607-BA6807-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA6807-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
639489-84-2
Form
A solid
Molecular Formula
C22H23N3O2
Molecular Weight
361.44
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Bradanicline

Bradanicline, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). Bradanicline belongs to a new class of drugs for the treatment of central nervous system diseases and disorders.

CAS Number639489-84-2
PubChem CID25147644
IUPAC NameN-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
Molecular FormulaC22H23N3O2
Molecular Weight361.4
XLogP3.5
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity534
SMILES
C1CN2CCC1[C@H]([C@@H]2CC3=CN=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4
InChI
InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
InChIKey
OXKRFEWMSWPKKV-GHTZIAJQSA-N
Chemical Structure
2D Structure
2D structure of Bradanicline
CAS: 639489-84-2
CID: 25147644
Formula: C22H23N3O2
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass361.17902698
Monoisotopic Mass361.17902698
Topological Polar Surface Area58.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5804052Bradanicline
GTR19195305-01Bradanicline HCl
HY-18060ABradanicline (hydrochloride)

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