L-372662 - Moligand™,≥98% , CAS No.162045-26-3

CAS: 162045-26-3 Cat. No.: L646313 Molecular Weight: 586.68 PubChem CID: 5311202
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
BDBM50064711 | NS95DW687N | Q27078395 | 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-1-(1-(2-methoxy-4-((1-((2-methyl-1-oxido-3-pyridinyl)methyl)-4-piperidinyl)oxy)benzoyl)-4-piperidinyl)- | GTPL2253 | 3-((4-(3-METHOXY-4-(4-(2-OXO-2H-BENZO[D][1,3]OXAZIN-1(4H)-YL)
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
L646313-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$149.90
5mg
L646313-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$359.90
25mg
L646313-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
100mg
L646313-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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
BDBM50064711 | NS95DW687N | Q27078395 | 2H-3, 1-Benzoxazin-2-one, 1, 4-dihydro-1-(1-(2-methoxy-4-((1-((2-methyl-1-oxido-3-pyridinyl)methyl)-4-piperidinyl)oxy)benzoyl)-4-piperidinyl)- | GTPL2253 | 3-((4-(3-METHOXY-4-(4-(2-OXO-2H-BENZO[D][1, 3]OXAZIN-1(4H)-YL)
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
L-372662 is a potent non-peptide oxytocin antagonist with a Ki value of 4.8. The Kd value of L-372662 for wild-type hOTR and [A318G]OTR is 5.8 nM and 73 nM. L-372662 shows selectivity to OTR:V1aR.
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.
Grade
Moligand™
Action Type
ANTAGONIST
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=C(C=CC=[N+]1[O-])CN2CCC(CC2)OC3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O)OC
IUPAC Name1-[1-[2-methoxy-4-[1-[(2-methyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
InChIKeySKWSXDUHUVMPBT-UHFFFAOYSA-N
INCHI1S/C33H38N4O6/c1-23-24(7-5-15-36(23)40)21-34-16-13-27(14-17-34)43-28-9-10-29(31(20-28)41-2)32(38)35-18-11-26(12-19-35)37-30-8-4-3-6-25(30)22-42-33(37)39/h3-10,15,20,26-27H,11-14,16-19,21-22H2,1-2H3
Isomeric SMILES CC1=C(C=CC=[N+]1[O-])CN2CCC(CC2)OC3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O)OC
Alternate CAS 162045-26-3
PubChem CID 5311202
MeSH Entry Terms 1-(1-4-(1-(2-methyl-1-oxidopridin-3-ylmetyhl)piperidin-4-yloxyl-2-methoxybenzoyl)piperidin-4-yl)-1,4-dihydrobenz(d)(1,3)oxazin-2-one;L 372662;L-372662
Molecular Weight 586.68

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
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct Parent1-benzoylpiperidines
Alternative Parents N-benzoylpiperidines  Benzoxazines  Benzamides  Anisoles  Methoxybenzenes  Phenoxy compounds  Methylpyridines  Alkyl aryl ethers  Aralkylamines  Pyridinium derivatives  Heteroaromatic compounds  Carbamate esters  Tertiary carboxylic acid amides  Trialkylamines  Azacyclic compounds  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Organic salts  Organic cations  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-benzoylpiperidine - 1-benzoylpiperidine - Benzoxazine - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Methylpyridine - Aralkylamine - Piperidine - Pyridine - Pyridinium - Tertiary carboxylic acid amide - Carbamic acid ester - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
OXTR Tclin Oxytocin receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OXTR Tclin Oxytocin receptor (1962 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pan troglodytes (415 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 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
SolubilityDMSO : 100 mg/mL (170.45 mM; Need ultrasonic)
Molecular Weight586.700 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass586.279 Da
Monoisotopic Mass586.279 Da
Topological Polar Surface Area97.000 Ų
Heavy Atom Count43
Formal Charge0
Complexity938.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
Reviews

Customer Reviews

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