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GR 128107

CAT: 0013-GTR19198390-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198390-01Size:25 mg
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Description
GR 128107 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 receptor binding assays and in vivo studies of circadian rhythms and sleep regulation.
CAS Number
190328-44-0
Field of Research
Pharmacology & Drug Discovery
Smiles
O (C) C=1C=C2C (=CNC2=CC1) C3CN (C (C) =O) CCC3
Molecular Formula
C16H20N2O2
Molecular Weight
272.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GR 128107

partial agonist on Xenopus laevis melanophores

CAS Number190328-44-0
PubChem CID44208891
IUPAC Name1-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
Molecular FormulaC16H20N2O2
Molecular Weight272.34
XLogP2.1
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity360
SMILES
CC(=O)N1CCCC(C1)C2=CNC3=C2C=C(C=C3)OC
InChI
InChI=1S/C16H20N2O2/c1-11(19)18-7-3-4-12(10-18)15-9-17-16-6-5-13(20-2)8-14(15)16/h5-6,8-9,12,17H,3-4,7,10H2,1-2H3
InChIKey
RBINAFTXZHPTNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GR 128107
CAS: 190328-44-0
CID: 44208891
Formula: C16H20N2O2
MW: 272.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.34
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass272.152477885
Monoisotopic Mass272.152477885
Topological Polar Surface Area45.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity360
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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