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Moligand™,≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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.
DAG Kinase Inhibitor is an inhibitor of DGK (Diacylglycerol kinase; DAG Kinase) and is useful for elucidating the roles of protein kinase C (PKC). DAG Kinase Inhibitor has also been reported to inhibit DGK in several systems such as isolated platelet membranes, whole platelets and ghost erythrocytes. Additional reports have shown to inhibit in a concentration dependent manner. DAG Kinase Inhibitor may also inhibit other pathways such as NADPH and potentially interfere with the lipid-mediated assembly process of oxidase components as reported using a cell-free system. This particular isoform, R59949, has been reported to potentially exhibit selective inhibition of DGK-α.
| pKa | pKa: 11.24 (Predicted), pKa: 8.33 (Predicted) |
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| Sonrisas canónicas | C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=S |
|---|---|
| IUPAC Name | 3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one |
| InChIKey | ZCNBZFRECRPCKU-UHFFFAOYSA-N |
| INCHI | 1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35) |
| Isómeros SMILES | C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=S |
| WGK Alemania | 3 |
| Peso molecular | 489.58 |
| Reaxy-Rn | 8521896 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8521896&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 | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Quinazolines 2-Thiopyrimidines Fluorobenzenes Pyrimidones Pyrimidinethiones Aryl fluorides Piperidines Vinylogous amides Heteroaromatic compounds Lactams Trialkylamines Thioureas Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Diazanaphthalene - Quinazoline - 2-thiopyrimidine - Thiopyrimidine - Fluorobenzene - Halobenzene - Pyrimidinethione - Pyrimidone - Aryl fluoride - Aryl halide - Piperidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Lactam - Organoheterocyclic compound - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
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| Solubilidad | Soluble in N,N-DMF (89 g/l), DMSO (33 g/l), dichloromethane (35 g/l), ethanol, ethyl acetate, 0.1 M HCl (slightly soluble), 0.1 M NaOH (slightly soluble), and tetrahydro-furan. Insoluble in water. |
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| Índice de refracción | n20D1.69 (Predicted) |
| Punto de ebullición (°C) | 637.07° C at 760 mmHg (Predicted) |
| Punto de fusión (°C) | 228-230° C |
| Peso molecular | 489.600 g/mol |
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 489.169 Da |
| Monoisotopic Mass | 489.169 Da |
| Topological Polar Surface Area | 67.700 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 770.000 |
| 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 |
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View Moligand™ grade guide →