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5-HT2A agonist 7

CAT: 0013-GTR19264447-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264447-01Size:50 mg
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Description
5-HT2A agonist 7 (Compound 45) is an orally active and highly selective 5-HT2A receptor agonist with an EC50 of 12 nM. It holds potential for research in psychiatric disorders such as depression.
CAS Number
2864368-10-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
FC (F) (F) C=1C=C (OC) C (=CC1SC) C2CNCCC2
Molecular Formula
C14H18F3NOS
Molecular Weight
305.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[2-Methoxy-5-methylsulfanyl-4-(trifluoromethyl)phenyl]piperidine
CAS Number2864368-10-3
PubChem CID156337171
IUPAC Name3-[2-methoxy-5-methylsulfanyl-4-(trifluoromethyl)phenyl]piperidine
Molecular FormulaC14H18F3NOS
Molecular Weight305.36
XLogP3.4
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity313
SMILES
COC1=CC(=C(C=C1C2CCCNC2)SC)C(F)(F)F
InChI
InChI=1S/C14H18F3NOS/c1-19-12-7-11(14(15,16)17)13(20-2)6-10(12)9-4-3-5-18-8-9/h6-7,9,18H,3-5,8H2,1-2H3
InChIKey
UNDYMCCHFYHLMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-Methoxy-5-methylsulfanyl-4-(trifluoromethyl)phenyl]piperidine
CAS: 2864368-10-3
CID: 156337171
Formula: C14H18F3NOS
MW: 305.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.36
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass305.10611986
Monoisotopic Mass305.10611986
Topological Polar Surface Area46.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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