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.
inhibitors of parp1
| ALogP | 1.562 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 5 |
| Canonical Smiles | CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N(C)CCO |
|---|---|
| IUPAC Name | N-(2-hydroxyethyl)-N,2-dimethyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide |
| InChIKey | CQLQKJKNQZSLPC-UHFFFAOYSA-N |
| INCHI | 1S/C18H19N3O4S/c1-12-7-8-13(11-16(12)26(24,25)21(2)9-10-22)17-14-5-3-4-6-15(14)18(23)20-19-17/h3-8,11,22H,9-10H2,1-2H3,(H,20,23) |
| Isomeric SMILES | CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N(C)CCO |
| PubChem CID | 1073222 |
| Molecular Weight | 373.42616 |
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 Benzenesulfonamides Benzenesulfonyl compounds Toluenes Pyridazinones Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Lactams Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyridazine - Phthalazinone - Diazanaphthalene - Benzenesulfonamide - Phthalazine - Benzenesulfonyl group - Pyridazinone - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Alkanolamine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic nitrogen compound - Alcohol - Organic oxide - 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 |
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| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 373.400 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 373.11 Da |
| Monoisotopic Mass | 373.11 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 658.000 |
| 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 |
