Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
|
F610393-5mg
|
5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,334.90
|
|
|
F610393-25mg
|
25mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$2,001.90
|
|
| Specifications & Purity | Moligand™ |
|---|---|
| Grade | Moligand™ |
| Action Type | ALLOSTERIC MODULATOR |
| Mechanism of action | Allosteric modulator of mGlu 1 receptor |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,3-triazoles |
| Alternative Parents | Quinolines and derivatives 2-halopyridines Benzenoids Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,3-triazole - Quinoline - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
|
|
|
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| IUPAC Name | 6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline |
|---|---|
| INCHI | InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3 |
| InChIKey | RTUBNVSZHGWRCV-UHFFFAOYSA-N |
| Smiles | Cc1c(nnn1c1cccnc1F)c1ccc2c(c1)cccn2 |
| Isomeric SMILES | CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)N=CC=C4 |
| PubChem CID | 11301185 |
| Molecular Weight | 305.310 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 305.108 Da |
| Monoisotopic Mass | 305.108 Da |
| Topological Polar Surface Area | 56.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| 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 |