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DH-97

CAT: 0013-GTR19211035Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211035Size:1 mg
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Description
DH-97 is a high-affinity and selective antagonist of the MT2 melatonin receptor, with a pKi of 8.03. This small molecule is a valuable research tool for investigating circadian rhythms, sleep disorders, and neuroendocrine functions in both in vitro and in vivo experimental models.
CAS Number
343263-95-6
Field of Research
Pharmacology & Drug Discovery
Smiles
C (C=1N (C (CCCC) =O) C=2C (C1CCN) =CC=CC2) C3=CC=CC=C3
Molecular Formula
C22H26N2O
Molecular Weight
334.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[3-(2-Aminoethyl)-2-(phenylmethyl)-1H-indol-1-yl]-1-pentanone
CAS Number343263-95-6
PubChem CID85787043
IUPAC Name1-[3-(2-aminoethyl)-2-benzylindol-1-yl]pentan-1-one
Molecular FormulaC22H26N2O
Molecular Weight334.5
XLogP4.5
Topological Polar Surface Area48
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity418
SMILES
CCCCC(=O)N1C2=CC=CC=C2C(=C1CC3=CC=CC=C3)CCN
InChI
InChI=1S/C22H26N2O/c1-2-3-13-22(25)24-20-12-8-7-11-18(20)19(14-15-23)21(24)16-17-9-5-4-6-10-17/h4-12H,2-3,13-16,23H2,1H3
InChIKey
WQQBIBNCSCLVDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[3-(2-Aminoethyl)-2-(phenylmethyl)-1H-indol-1-yl]-1-pentanone
CAS: 343263-95-6
CID: 85787043
Formula: C22H26N2O
MW: 334.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass334.204513457
Monoisotopic Mass334.204513457
Topological Polar Surface Area48 Ų
Heavy Atom Count25
Formal Charge0
Complexity418
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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