≥99% 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.
DSP-1053, a benzylpiperidine derivative, is a potent Serotonin Transporter (SERT) inhibitor with a K i of 1.02 nM. DSP-1053 shows partial 5-HT 1A receptor agonistic activity with a K i of 5.05 nM. DSP-1053 has antidepressant activity
Form:Solid
IC50& Target:5-HT 1A Receptor 5.05 nM (Ki)
| Canonical Smiles | COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br |
|---|---|
| IUPAC Name | 6-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one |
| InChIKey | ZSVLGHSNQJYODD-UHFFFAOYSA-N |
| INCHI | 1S/C26H32BrNO4/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25/h2-5,17-18,20H,6-16H2,1H3 |
| Isomeric SMILES | COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br |
| PubChem CID | 44182694 |
| Molecular Weight | 502.44 |
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 | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-benzylpiperidines |
| Alternative Parents | Chromones Phenethylamines Phenoxy compounds Phenol ethers Aryl alkyl ketones Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organobromides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-benzylpiperidine - Chromone - Chromane - Benzopyran - 1-benzopyran - Phenethylamine - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Tertiary amine - Tertiary aliphatic amine - Ketone - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine. |
| External Descriptors | Not available |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubility | DMSO : 100 mg/mL (199.03 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 502.400 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 501.151 Da |
| Monoisotopic Mass | 501.151 Da |
| Topological Polar Surface Area | 48.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 582.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
