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4BP-TQS

CAT: 0013-GTR19155240-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155240-02Size:500 mg
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Description
4BP-TQS is an allosteric agonist of α7 nAChRs.
CAS Number
360791-49-7
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
C1C=CC2C1C (NC3=C2C=C (C=C3) S (=O) (=O) N) C4=CC=C (C=C4) Br
Molecular Formula
C18H17BrN2O2S
Molecular Weight
405.31
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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 Number360791-49-7
PubChem CID2857838
IUPAC Name4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Molecular FormulaC18H17BrN2O2S
Molecular Weight405.3
XLogP3.6
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity595
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
2D structure of 4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinoline-8-sulfonamide
CAS: 360791-49-7
CID: 2857838
Formula: C18H17BrN2O2S
MW: 405.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass404.01941
Monoisotopic Mass404.01941
Topological Polar Surface Area80.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes