10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
SIRT1 inhibitors
| ALogP | 4.184 |
|---|---|
| Rotatable Bond | 3 |
| Canonical Smiles | C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | 6-[5-(4-fluorophenyl)furan-2-yl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| InChIKey | QPZFOPHCYYAYTC-UHFFFAOYSA-N |
| INCHI | 1S/C17H9FN4O2S/c18-11-5-3-10(4-6-11)12-7-8-14(24-12)16-21-22-15(13-2-1-9-23-13)19-20-17(22)25-16/h1-9H |
| Isomeric SMILES | C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=CC=C(C=C5)F |
| PubChem CID | 1034419 |
| Molecular Weight | 352.3423632 |
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 | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Aryl fluorides Triazoles Thiadiazoles Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Furan - Thiadiazole - 1,2,4-triazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
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| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 352.300 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 352.043 Da |
| Monoisotopic Mass | 352.043 Da |
| Topological Polar Surface Area | 97.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 482.000 |
| 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 |
