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.
PARP-1 inhibitor
| ALogP | 4.253 |
|---|---|
| HBD Count | 1 |
| Rotatable Bond | 5 |
| Pubchem Sid | 528767920 |
|---|---|
| Canonical Smiles | C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NC4=CC(=CC=C4)Cl |
| IUPAC Name | N-(3-chlorophenyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide |
| InChIKey | BOYHFRMRSLOWLL-UHFFFAOYSA-N |
| INCHI | 1S/C23H18ClN3O2/c24-17-9-6-10-18(15-17)25-21(28)13-14-27-23(29)20-12-5-4-11-19(20)22(26-27)16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,25,28) |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NC4=CC(=CC=C4)Cl |
| PubChem CID | 3796800 |
| Molecular Weight | 403.86092 |
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 | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridazines |
| Alternative Parents | Phthalazinones Anilides N-arylamides Pyridazinones Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyridazine - Phthalazinone - Phthalazine - Anilide - N-arylamide - Chlorobenzene - Halobenzene - Pyridazinone - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 403.900 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 403.109 Da |
| Monoisotopic Mass | 403.109 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 632.000 |
| 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 |
