Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description:
IC50 Value: 0.72 nM (κ-opioid Receptor); 25.8 nM (κ-opioid) [1]
LY2795050 is a novel selective KOR antagonist and has the potential as a PET tracer to image KOR in vivo.
in vitro: LY2795050 displays
| Canonical Smiles | C1CC(N(C1)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)N)Cl)C4=CN=CC=C4 |
|---|---|
| IUPAC Name | 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]benzamide |
| InChIKey | LOOCZNLSXJHWTG-NRFANRHFSA-N |
| INCHI | 1S/C23H22ClN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1 |
| Isomeric SMILES | C1C[C@H](N(C1)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)N)Cl)C4=CN=CC=C4 |
| Molecular Weight | 407.89 |
| Reaxy-Rn | 22111708 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22111708&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Pyrrolidinylpyridines Diarylethers 3-halobenzoic acids and derivatives Alkaloids and derivatives Benzamides Phenylmethylamines Phenoxy compounds Phenol ethers Benzoyl derivatives Benzylamines Aralkylamines Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Heteroaromatic compounds Amino acids and derivatives Primary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Pyrrolidinylpyridine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alkaloid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Halobenzene - Aralkylamine - Chlorobenzene - N-alkylpyrrolidine - Aryl halide - Aryl chloride - Pyridine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
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| Solubility | 25°C: DMSO |
|---|---|
| Molecular Weight | 407.900 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 407.14 Da |
| Monoisotopic Mass | 407.14 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 540.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |