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5-HT7 agonist 2

CAT: 0804-HY-147399Size: 1 EachDry Ice: NoHazardous: No
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Description
5-HT7 agonist 2 is a potent 5-HT7 receptor agonist with an IC50 value of 28.7 nM. 5-HT7 agonist 2 can be used for research of central nervous system (CNS) disorders[1].
CAS Number
1206846-61-8
UNSPSC
12352005
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/5-ht7-agonist-2.html
Solubility
10 mM in DMSO
Smiles
CC(C)C(C=C1CN2CCN(CC2)C3=C4C=CNC4=CC=C3)=CC=C1OC
Molecular Formula
C23H29N3O
Molecular Weight
363.50
References & Citations
[1]Ramon RP, et, al. Method for screening of 5ht7 receptor ligands based on a new pharmacophore model and a descriptor's profile filter. US20110124657A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-HT7 Receptor; MUC3

Chemical Information

5-HT7 agonist 2
CAS Number1206846-61-8
PubChem CID44610704
IUPAC Name4-[4-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperazin-1-yl]-1H-indole
Molecular FormulaC23H29N3O
Molecular Weight363.5
XLogP4.6
Topological Polar Surface Area31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity463
SMILES
CC(C)C1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=CC=CC4=C3C=CN4
InChI
InChI=1S/C23H29N3O/c1-17(2)18-7-8-23(27-3)19(15-18)16-25-11-13-26(14-12-25)22-6-4-5-21-20(22)9-10-24-21/h4-10,15,17,24H,11-14,16H2,1-3H3
InChIKey
KQLDNWDJVNJTQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-HT7 agonist 2
CAS: 1206846-61-8
CID: 44610704
Formula: C23H29N3O
MW: 363.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass363.231062557
Monoisotopic Mass363.231062557
Topological Polar Surface Area31.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity463
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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