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5-HT2C agonist-4

CAT: 0013-GTR19241076-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241076-01Size:25 mg
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Description
Compound 3i is a potent and selective 5-HT2C receptor agonist (EC50 = 5.7 nM) . This small molecule is a valuable research tool for studying serotonergic signaling in neuropharmacology, demonstrated in vivo by its ability to reduce locomotor activity in zebrafish larvae.
CAS Number
2730085-33-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (=N/C=1C (CCC) =NN (C) C1C (N) =O) \C=2C=3C (N (CC4=CC=CC=C4) C2) =CC=CC3
Molecular Formula
C24H25N5O
Molecular Weight
399.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-HT2C agonist-4
CAS Number2730085-33-1
PubChem CID172677342
IUPAC Name4-[(1-benzylindol-3-yl)methylideneamino]-1-methyl-3-propylpyrazole-5-carboxamide
Molecular FormulaC24H25N5O
Molecular Weight399.5
XLogP3.6
Topological Polar Surface Area78.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity604
SMILES
CCCC1=NN(C(=C1N=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)N)C
InChI
InChI=1S/C24H25N5O/c1-3-9-20-22(23(24(25)30)28(2)27-20)26-14-18-16-29(15-17-10-5-4-6-11-17)21-13-8-7-12-19(18)21/h4-8,10-14,16H,3,9,15H2,1-2H3,(H2,25,30)
InChIKey
IWNVHBYNJIJZAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-HT2C agonist-4
CAS: 2730085-33-1
CID: 172677342
Formula: C24H25N5O
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass399.20591044
Monoisotopic Mass399.20591044
Topological Polar Surface Area78.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity604
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