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S20928

CAT: 0013-GTR19197224-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197224-02Size:50 mg
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Description
S20928 is a selective melatonin receptor antagonist used in pharmacological research. It is a valuable tool compound for investigating melatonin signaling pathways in both in vitro and in vivo experimental models related to circadian rhythms and sleep disorders.
CAS Number
152302-33-5
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CNC (=O) C1CCC1) C=2C3=C (C=CC2) C=CC=C3
Molecular Formula
C17H19NO
Molecular Weight
253.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S 20928
CAS Number152302-33-5
PubChem CID127856
IUPAC NameN-(2-naphthalen-1-ylethyl)cyclobutanecarboxamide
Molecular FormulaC17H19NO
Molecular Weight253.34
XLogP3.7
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity310
SMILES
C1CC(C1)C(=O)NCCC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H19NO/c19-17(15-8-4-9-15)18-12-11-14-7-3-6-13-5-1-2-10-16(13)14/h1-3,5-7,10,15H,4,8-9,11-12H2,(H,18,19)
InChIKey
GLXSBZGTGMPDKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S 20928
CAS: 152302-33-5
CID: 127856
Formula: C17H19NO
MW: 253.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.34
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass253.146664230
Monoisotopic Mass253.146664230
Topological Polar Surface Area29.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity310
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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