≥97% 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
MDR-652 MDR-652 is a potent and specific agonist of transient receptor potential vanilloid 1 (TRPV1) with Ki of 11.4 nM and 23.8 nM for hTRPV1 and rTRPV1, respectively. MDR-652 has excellent and dose-dependent analgesic activity.
Targets
hTRPV1 (Cell-free assay); rTRPV1 (Cell-free assay) 11.4 nM(Ki); 23.8 nM(Ki)
| Pubchem Sid | 528765441 |
|---|---|
| Sonrisas canónicas | CC(C)(C)C1=NC(=C(S1)CNC(=O)NC2=CC(=C(C=C2)CO)F)C3=CC(=CC=C3)Cl |
| IUPAC Name | 1-[[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methyl]-3-[3-fluoro-4-(hydroxymethyl)phenyl]urea |
| InChIKey | HKMPJRGWSUCANB-UHFFFAOYSA-N |
| INCHI | 1S/C22H23ClFN3O2S/c1-22(2,3)20-27-19(13-5-4-6-15(23)9-13)18(30-20)11-25-21(29)26-16-8-7-14(12-28)17(24)10-16/h4-10,28H,11-12H2,1-3H3,(H2,25,26,29) |
| Isómeros SMILES | CC(C)(C)C1=NC(=C(S1)CNC(=O)NC2=CC(=C(C=C2)CO)F)C3=CC(=CC=C3)Cl |
| Peso molecular | 447.95 |
| Reaxy-Rn | 29687908 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29687908&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 | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | Benzyl alcohols Fluorobenzenes Chlorobenzenes Thiazoles Heteroaromatic compounds Organic carbonic acids and derivatives Imidothioesters Vinyl fluorides Vinyl chlorides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Imidothioic acids and derivatives Fluoroalkenes Chloroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-phenylurea - Benzyl alcohol - Halobenzene - Fluorobenzene - Chlorobenzene - Heteroaromatic compound - Thiazole - Azole - Carbonic acid derivative - Imidothioester - Azacycle - Fluoroalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Vinyl halide - Vinyl fluoride - Vinyl chloride - Imidothioic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| 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 |
|---|---|---|---|
 A24220690 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422056 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422057 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422058 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422059 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422060 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422061 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422062 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422063 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422064 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422066 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422067 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| A2422069 | Certificate of Analysis | Dec 21, 2023 | M412573 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 90 mg/mL (200.91 mM); Ethanol: 90 mg/mL (200.91 mM); Water: Insoluble; |
|---|---|
| Peso molecular | 448.000 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 447.118 Da |
| Monoisotopic Mass | 447.118 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 579.000 |
| 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 |
