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ML417

CAT: 0013-GTR19165552-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165552-01Size:5 mg
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Description
ML417 is a potent and brain-penetrant D3 dopamine receptor agonist with an EC50 of 38 nM. Its selectivity makes it a valuable research tool for investigating D3 receptor function in both in vitro assays and in vivo models of neuropsychiatric disorders.
CAS Number
1386162-69-1
Product Name Alternative
D3, dopaminergic, DopamineReceptor, Dopamine, Dopamine Receptor, Inhibitor, inhibit, ML 417, ML417, ML-417, neuroprotection, neurons, phosphorylation, translocation, β-arrestin
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.40% (May vary between batches)
Solubility
DMSO:5 mg/mL (13.18 mM)
Smiles
COc1ccc (OCCN2CCN (CC2) C (=O) c2cc3ccccc3[nH]2) cc1
Molecular Formula
C22H25N3O3
Molecular Weight
379.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1H-Indol-2-yl)(4-(2-(4-methoxyphenoxy)ethyl)piperazin-1-yl)methanone
CAS Number1386162-69-1
PubChem CID27842480
IUPAC Name1H-indol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
Molecular FormulaC22H25N3O3
Molecular Weight379.5
XLogP3.3
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity501
SMILES
COC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C22H25N3O3/c1-27-18-6-8-19(9-7-18)28-15-14-24-10-12-25(13-11-24)22(26)21-16-17-4-2-3-5-20(17)23-21/h2-9,16,23H,10-15H2,1H3
InChIKey
HAZPAMUWUHDPDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1H-Indol-2-yl)(4-(2-(4-methoxyphenoxy)ethyl)piperazin-1-yl)methanone
CAS: 1386162-69-1
CID: 27842480
Formula: C22H25N3O3
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass379.18959167
Monoisotopic Mass379.18959167
Topological Polar Surface Area57.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity501
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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