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FPPQ

CAT: 0931-T62082-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62082-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1648745-46-3
Target
Others, 5-HT Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
FPPQ is a dual antagonist of the 5-HT3 and 5-HT6 receptors with Ki values of 0.9 nM and 3 nM, respectively, and exhibits antipsychotic and pro-cognitive activity.
Smiles
S(=O)(=O)(N1C2=C(C(=NC=3C2=CC=CC3)N4CCNCC4)C=C1)C5=CC(F)=CC=C5
Molecular Formula
C21H19FN4O2S
Molecular Weight
410.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CAS Number1648745-46-3
PubChem CID90469115
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
Molecular FormulaC21H19FN4O2S
Molecular Weight410.5
XLogP3.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity681
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3C4=C2C=CN4S(=O)(=O)C5=CC=CC(=C5)F
InChI
InChI=1S/C21H19FN4O2S/c22-15-4-3-5-16(14-15)29(27,28)26-11-8-18-20(26)17-6-1-2-7-19(17)24-21(18)25-12-9-23-10-13-25/h1-8,11,14,23H,9-10,12-13H2
InChIKey
QNKGTIWNFNPEJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CAS: 1648745-46-3
CID: 90469115
Formula: C21H19FN4O2S
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass410.12127520
Monoisotopic Mass410.12127520
Topological Polar Surface Area75.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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