≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Desiccated 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.
SSAA09E2 is an inhibitor of SARS-CoV (Severe acute respiratory syndrome-Coronavirus) replication, acting by blocking early interactions of SARS-S with the receptor for SARS-CoV , Angiotensin Converting Enzyme-2 (ACE2)
Form:Solid
IC50& Target:SARS-CoV
| Canonical Smiles | CN1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=NO3 |
|---|---|
| IUPAC Name | N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2-oxazole-5-carboxamide |
| InChIKey | OMRXBNSVRJWWAZ-UHFFFAOYSA-N |
| INCHI | 1S/C16H20N4O2/c1-19-8-10-20(11-9-19)14-4-2-13(3-5-14)12-17-16(21)15-6-7-18-22-15/h2-7H,8-12H2,1H3,(H,17,21) |
| Isomeric SMILES | CN1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=NO3 |
| PubChem CID | 2738575 |
| MeSH Entry Terms | N-((4-(4-methylpiperazin-1-yl)phenyl)methyl)-1,2-oxazole-5-carboxamide;SSAA09E2 |
| Molecular Weight | 300.36 |
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 2-heteroaryl carboxamides Aniline and substituted anilines Dialkylarylamines N-methylpiperazines Isoxazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxide - 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 |
| Solubility | DMSO : 125 mg/mL (416.17 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 300.360 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 300.159 Da |
| Monoisotopic Mass | 300.159 Da |
| Topological Polar Surface Area | 61.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| 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 |
