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2-Iodomelatonin

CAT: 1410-M32743-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M32743-02Size:10 mg
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Description
2-Iodomelatonin is a potent agonist of melatonin receptor 1 (MT1) with a Ki value of 28 pM, exhibiting over 5-fold selectivity for MT1 compared to MT2. It can be used to identify, characterize, and localize melatonin binding sites in the brain and peripheral tissues.
CAS Number
93515-00-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
358.17
Molecular Formula
C13H15IN2O2
Notes
Research use only, not for human use.
Receptor
Melatonin Receptor

Chemical Information

2-Iodomelatonin

N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides.

CAS Number93515-00-5
PubChem CID115348
IUPAC NameN-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular FormulaC13H15IN2O2
Molecular Weight358.17
XLogP2.3
Topological Polar Surface Area54.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity301
SMILES
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
InChI
InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKey
FJDDSMSDZHURBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodomelatonin
CAS: 93515-00-5
CID: 115348
Formula: C13H15IN2O2
MW: 358.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.17
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass358.01783
Monoisotopic Mass358.01783
Topological Polar Surface Area54.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity301
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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