NS-3956 free base

CAT: 0931-T69747-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T69747-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

223796-90-5

Target

Others

Related Pathways

Others

Bioactivity

NS-3956 free base is a partial nAChR α4β2 LS and HS agonist with analgesic properties.

Smiles

ClC1=CC(=CN=C1)N2CCCNCC2

Molecular Formula

C10H14ClN3

Molecular Weight

211.69

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

NS-3956 free base

CAS Number	223796-90-5
PubChem CID	11701287
IUPAC Name	1-(5-chloro-3-pyridinyl)-1,4-diazepane
Molecular Formula	C10H14ClN3
Molecular Weight	211.69
XLogP	1.3
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	177

SMILES

C1CNCCN(C1)C2=CC(=CN=C2)Cl

InChI

InChI=1S/C10H14ClN3/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14/h6-8,12H,1-5H2

InChIKey

LYMBELAAKZROPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 223796-90-5

CID: 11701287

Formula: C10H14ClN3

MW: 211.69

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	211.69
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	211.0876252
Monoisotopic Mass	211.0876252
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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