LY2795050 , CAS No.1346133-08-1

CAS: 1346133-08-1 Cat. No.: L125659 Molecular Weight: 407.89
AVAILABLE TO ORDER
Synonyms
LY2795050 | LY-2795050 | 3-Chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]benzamide | BDBM50358166 | Benzamide, 3-chloro-4-(4-(((2S)-2-(3-pyridinyl)-1-pyrrolidinyl)methyl)phenoxy)-benzamide, 3-chloro-4-(4-(((2S)-2-(3-pyridinyl)-1-pyrrolid
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
L125659-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$318.90
10mg
L125659-10mg
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$520.90
25mg
L125659-25mg
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$1,040.90
50mg
L125659-50mg
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$1,603.90
100mg
L125659-100mg
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$2,494.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
LY2795050 | LY-2795050 | 3-Chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]benzamide | BDBM50358166 | Benzamide, 3-chloro-4-(4-(((2S)-2-(3-pyridinyl)-1-pyrrolidinyl)methyl)phenoxy)-benzamide, 3-chloro-4-(4-(((2S)-2-(3-pyridinyl)-1-pyrrolid
Biochemical and Physiological Mechanisms

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

Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Names and Identifiers
Canonical SmilesC1CC(N(C1)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)N)Cl)C4=CN=CC=C4
IUPAC Name3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]benzamide
InChIKeyLOOCZNLSXJHWTG-NRFANRHFSA-N
INCHI1S/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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
OPRK1 Tclin Kappa-type opioid receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRM1 Tclin Mu-type opioid receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Striatum (57 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Solubility25°C: DMSO
Molecular Weight407.900 g/mol
XLogP33.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass407.14 Da
Monoisotopic Mass407.14 Da
Topological Polar Surface Area68.500 Ų
Heavy Atom Count29
Formal Charge0
Complexity540.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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