≥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.
ML188, a first in class probe, is a selective non-covalent SARS-CoV 3CLpro inhibitor with an IC50 of 1.5 μM. Antiviral activity.Anti-infection SARS-CoV Virus Protease ML188
| Sonrisas canónicas | CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CO3 |
|---|---|
| IUPAC Name | N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide |
| InChIKey | JXGIYKRRPGCLFV-JOCHJYFZSA-N |
| INCHI | 1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1 |
| Isómeros SMILES | CC(C)(C)C1=CC=C(C=C1)N([C@H](C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CO3 |
| Peso molecular | 433.5 |
| Reaxy-Rn | 23396124 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23396124&ln= |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides - Furanilides |
| Direct Parent | 2-furanilides |
| Alternative Parents | Alpha amino acids and derivatives Phenylpropanes Furoic acid and derivatives 2-heteroaryl carboxamides Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-furanilide - Alpha-amino acid or derivatives - Phenylpropane - 2-heteroaryl carboxamide - Furoic acid or derivatives - Pyridine - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 J2414817 | Certificate of Analysis | Apr 13, 2024 | M412547 |
| B2426271 | Certificate of Analysis | Jan 16, 2024 | M412547 |
| B2426272 | Certificate of Analysis | Jan 16, 2024 | M412547 |
| B2426274 | Certificate of Analysis | Jan 16, 2024 | M412547 |
| B2426275 | Certificate of Analysis | Jan 16, 2024 | M412547 |
| B2426372 | Certificate of Analysis | Jan 16, 2024 | M412547 |
| B2426373 | Certificate of Analysis | Jan 16, 2024 | M412547 |
| B2426386 | Certificate of Analysis | Jan 16, 2024 | M412547 |
| B2426273 | Certificate of Analysis | Jan 16, 2024 | M412547 |
| Peso molecular | 433.500 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 433.237 Da |
| Monoisotopic Mass | 433.237 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 644.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
