≥98%(HPLC) 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.
TH1020 has been used to inhibit toll-like receptor 5 (TLR5) in porcine intestinal epithelial monolayer cells and mice.
| Canonical Smiles | C1=CC=C(C=C1)CN2C(=NN=C2SC3=NC=NC4=C3SC5=C4C=CC=N5)C6=CC=NC=C6 |
|---|---|
| IUPAC Name | 6-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene |
| InChIKey | CBBXTGWSGPEJEE-UHFFFAOYSA-N |
| INCHI | 1S/C23H15N7S2/c1-2-5-15(6-3-1)13-30-20(16-8-11-24-12-9-16)28-29-23(30)32-22-19-18(26-14-27-22)17-7-4-10-25-21(17)31-19/h1-12,14H,13H2 |
| Isomeric SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SC3=NC=NC4=C3SC5=C4C=CC=N5)C6=CC=NC=C6 |
| PubChem CID | 124203921 |
| Molecular Weight | 453.54 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Pyridyl-1,2,4-triazoles Thienopyrimidines Thienopyridines Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Triazoles Thiophenes Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diarylthioether - Pyridyl-1,2,4-triazole - Pyridyltriazole - Thienopyridine - Thienopyrimidine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Thiophene - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2411203 | Certificate of Analysis | Dec 18, 2024 | T287818 |
| J2116096 | Certificate of Analysis | Jul 08, 2024 | T287818 |
| J2116101 | Certificate of Analysis | Jul 08, 2024 | T287818 |
| J2116102 | Certificate of Analysis | Jul 08, 2024 | T287818 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 2.27, Max Conc. mM: 5 with gentle warming |
|---|---|
| Molecular Weight | 453.500 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 453.083 Da |
| Monoisotopic Mass | 453.083 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 615.000 |
| 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 |
