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TQS

CAT: 0013-GTR19173855-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173855-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TQS
CAS Number
353483-92-8
Product Name Alternative
Acetylcholine, allosteric, 4-Naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, modulator, nAChR, neuroinflammatory, nicotinic, Nicotinic acetylcholine receptors, inhibit, Inhibitor, pain, TQS, positive, α7 nAChR
Field of Research
Neuroscience
Purity
98.56% (May vary between batches)
Solubility
DMSO:240 mg/mL (637.5 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (13.28 mM)
Smiles
NS (=O) (=O) c1ccc2NC (C3CC=CC3c2c1) c1cccc2ccccc12
Molecular Formula
C22H20N2O2S
Molecular Weight
376.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CAS Number353483-92-8
PubChem CID5038679
IUPAC Name4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Molecular FormulaC22H20N2O2S
Molecular Weight376.5
XLogP4.2
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity685
SMILES
C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)
InChIKey
SIZWDJIHABLBSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CAS: 353483-92-8
CID: 5038679
Formula: C22H20N2O2S
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass376.12454906
Monoisotopic Mass376.12454906
Topological Polar Surface Area80.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity685
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

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