10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Selective Non-Nucleoside DNA Methyltransferase 1 Inhibitors
| ALogP | 2.973 |
|---|---|
| Rotatable Bond | 5 |
| Canonical Smiles | C1CN(CCN1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 1-(2-phenylethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione |
| InChIKey | BNFHWOIORKQQEI-UHFFFAOYSA-N |
| INCHI | 1S/C22H25N3O2/c26-21-17-20(22(27)25(21)12-11-18-7-3-1-4-8-18)24-15-13-23(14-16-24)19-9-5-2-6-10-19/h1-10,20H,11-17H2 |
| Isomeric SMILES | C1CN(CCN1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4 |
| PubChem CID | 2853382 |
| Molecular Weight | 363.4528 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Alpha amino acids and derivatives Aniline and substituted anilines Dialkylarylamines N-alkylpiperazines N-alkylpyrrolidines Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboximides Trialkylamines Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Carboxylic acid imide - Dicarboximide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 363.500 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 363.195 Da |
| Monoisotopic Mass | 363.195 Da |
| Topological Polar Surface Area | 43.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 518.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
