4BP-TQS

CAT: 0931-T8868-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T8868-02Size:10 mg

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CAS Number

360791-49-7

Target

AChR

Related Pathways

Neuroscience

Purity

0.9999

Bioactivity

4BP-TQS is an allosteric agonist of α7 nAChRs.

Smiles

NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1

Molecular Formula

C18H17BrN2O2S

Molecular Weight

405.31

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinoline-8-sulfonamide

an alpha7 nicotinic receptor agonist; structure in first source

CAS Number	360791-49-7
PubChem CID	2857838
IUPAC Name	4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Molecular Formula	C18H17BrN2O2S
Molecular Weight	405.3
XLogP	3.6
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	595

SMILES

C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)

InChIKey

YNCXHXYZTLIZTO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 360791-49-7

CID: 2857838

Formula: C18H17BrN2O2S

MW: 405.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	405.3
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	404.01941
Monoisotopic Mass	404.01941
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	595
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BA6820-100	4BP-TQS
A22084-5	4BP-TQS 5mg
A22084-200	4BP-TQS 200mg
A22084-100	4BP-TQS 100mg
A22084-50	4BP-TQS 50mg
A22084-25	4BP-TQS 25mg
A22084-10	4BP-TQS 10mg
A22084-10mM-D	4BP-TQS 10mM * 1mL in DMSO
TRC-T700565-100MG	TQS

4BP-TQS

Chemical Information

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