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BNC375

CAT: 0013-GTR19203892-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203892-05Size:100 mg
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Description
BNC375 is a potent and selective positive allosteric modulator of the α7 nicotinic acetylcholine receptor (α7 nAChR), exhibiting an EC50 of 1.9 μM. This small molecule is a valuable research tool for investigating the receptor's role in cognitive function and neuropsychiatric disorders, facilitating both in vitro binding assays and in vivo behavioral studies.
CAS Number
1557240-80-8
Field of Research
Neuroscience
Smiles
COc1ccc (Cl) cc1NC[C@@H]1[C@@H] (c2ccc (cc2) S (N) (=O) =O) C1 (C) C
Molecular Formula
C19H23ClN2O3S
Molecular Weight
394.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bnc375

alpha 7 nicotinic acetylcholine receptor-positive allosteric modulator

CAS Number1557240-80-8
PubChem CID118160666
IUPAC Name4-[(1R,3R)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.9
XLogP4
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity584
SMILES
CC1([C@@H]([C@H]1C2=CC=C(C=C2)S(=O)(=O)N)CNC3=C(C=CC(=C3)Cl)OC)C
InChI
InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)/t15-,18-/m1/s1
InChIKey
LWWDCTBUJUEFDE-CRAIPNDOSA-N
Chemical Structure
2D Structure
2D structure of Bnc375
CAS: 1557240-80-8
CID: 118160666
Formula: C19H23ClN2O3S
MW: 394.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.9
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass394.1117915
Monoisotopic Mass394.1117915
Topological Polar Surface Area89.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity584
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

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