≥95% 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.
Information
NDI-091143 NDI-091143 is a potent inhibitor of human ATP-citrate lyase(ACLY) with a Ki of 7.0 nM and an IC50 of 2.1 nM in the ADP-Glo assay.
Targets
ATP-citrate lyase (Cell-free assay) 7.0 nM(Ki)
| ALogP | 4.524 |
|---|---|
| hba_count | 4 |
| HBD Count | 2 |
| Rotatable Bond | 6 |
| Pubchem Sid | 504773515 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773515 |
| Canonical Smiles | COC(=O)C1=CC(=C(C(=C1)Cl)O)S(=O)(=O)NC2=C(C=C(C(=C2)C3=CC=CC=C3)F)F |
| IUPAC Name | methyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate |
| InChIKey | YSTSHUWHIDBZAK-UHFFFAOYSA-N |
| INCHI | 1S/C20H14ClF2NO5S/c1-29-20(26)12-7-14(21)19(25)18(8-12)30(27,28)24-17-9-13(15(22)10-16(17)23)11-5-3-2-4-6-11/h2-10,24-25H,1H3 |
| Molecular Weight | 453.84 |
| Reaxy-Rn | 35169455 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35169455&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | p-Hydroxybenzoic acid alkyl esters Sulfanilides Benzenesulfonamides 3-halobenzoic acids and derivatives Benzenesulfonyl compounds O-chlorophenols Benzoyl derivatives Fluorobenzenes Chlorobenzenes Organosulfonamides Aryl fluorides Aryl chlorides Methyl esters Aminosulfonyl compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Sulfanilide - Benzoate ester - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - 2-chlorophenol - 2-halophenol - Benzoyl - Phenol - Halobenzene - Fluorobenzene - Chlorobenzene - Organosulfonic acid amide - Aryl halide - Aryl fluoride - Aryl chloride - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2212326 | Certificate of Analysis | Aug 13, 2025 | N414238 |
| K2212585 | Certificate of Analysis | Aug 13, 2025 | N414238 |
| K2212586 | Certificate of Analysis | Aug 13, 2025 | N414238 |
| K2212587 | Certificate of Analysis | Aug 13, 2025 | N414238 |
| Solubility | Solubility (25°C) In vitro DMSO: 91 mg/mL (200.51 mM); Ethanol: 3 mg/mL (6.61 mM); Water: Insoluble; |
|---|---|
| DMSO(mg / mL) Max Solubility | 91 |
| DMSO(mM) Max Solubility | 200.511193372114 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 453.800 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 453.025 Da |
| Monoisotopic Mass | 453.025 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 700.000 |
| 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 |
