≥98% 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.
PARP-1 inhibitors
| ALogP | 4.753 |
|---|---|
| HBD Count | 1 |
| Rotatable Bond | 4 |
| Canonical Smiles | C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl |
|---|---|
| IUPAC Name | N-(3-bromophenyl)-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide |
| InChIKey | SXUNYZRIGZNOBI-UHFFFAOYSA-N |
| INCHI | 1S/C22H15BrClN3O2/c23-15-4-3-5-17(12-15)25-20(28)13-27-22(29)19-7-2-1-6-18(19)21(26-27)14-8-10-16(24)11-9-14/h1-12H,13H2,(H,25,28) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl |
| PubChem CID | 2938625 |
| Molecular Weight | 468.7304 |
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 Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Carbonyl compounds Organobromides Organochlorides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyridazine - Phthalazinone - Diazanaphthalene - Phthalazine - Anilide - N-arylamide - Bromobenzene - Pyridazinone - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Aryl chloride - Aryl bromide - Monocyclic benzene moiety - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - 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 | 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 | 468.700 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 467.004 Da |
| Monoisotopic Mass | 467.004 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 650.000 |
| 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 |
