≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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.
T-3764518 is a novel and potent stearoyl coenzyme A desaturase ( SCD ) inhibitor with an IC 50 of 4.7 nM.
Form:Solid
IC50& Target:IC50: 4.7 nM (SCD)
| Canonical Smiles | C1CN(CCC1(C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F)C3=NN=C(C=C3)C4=NN=C(O4)CO |
|---|---|
| IUPAC Name | [5-[6-[4-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyridazin-3-yl]-1,3,4-oxadiazol-2-yl]methanol |
| InChIKey | TVGUBMHUHTULAD-UHFFFAOYSA-N |
| INCHI | 1S/C20H17F6N5O2/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)15-6-5-14(27-28-15)17-30-29-16(11-32)33-17/h1-6,32H,7-11H2 |
| Isomeric SMILES | C1CN(CCC1(C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F)C3=NN=C(C=C3)C4=NN=C(O4)CO |
| PubChem CID | 124192339 |
| MeSH Entry Terms | (5-(6-(4-(trifluoromethyl)-4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)pyridazin-3-yl)-1,3,4-oxadiazol-2-yl)methanol;T-3764518 |
| Molecular Weight | 473.37 |
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 | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Trifluoromethylbenzenes Dialkylarylamines Aminopyridazines Imidolactams Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - Trifluoromethylbenzene - Dialkylarylamine - Aminopyridazine - Imidolactam - Benzenoid - Pyridazine - Monocyclic benzene moiety - Heteroaromatic compound - Oxadiazole - Azole - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
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| Solubility | DMSO : 95 mg/mL (200.69 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 473.400 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 4 |
| Exact Mass | 473.129 Da |
| Monoisotopic Mass | 473.129 Da |
| Topological Polar Surface Area | 88.200 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 650.000 |
| 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 |
