MCULE-8729166662
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 5 USD | 95 | 14 working days | Get Quote |
| 5 mg | 5 USD | 95 | 14 working days | Get Quote |
| 10 mg | 5 USD | 95 | 14 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-6360852809
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8729166662.sdf |
| SMILES | MCULE-8729166662.smiles |
| Standard InChI | MCULE-8729166662.inchi |
| InChIKey | MCULE-8729166662.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564186 | 97 | Main component | in stock |
| P-875723686 | 97 | Main component | in stock |
| P-1275198464 | 98 | Main component | in stock |
| P-903052863 | 95 | Main component | 2 kg |
| P-905479317 | 96 | Main component | 1000 g |
| P-1270319391 | 95 | Main component | in stock |
| P-856049193 | 95 | Main component | by synthesis |
| P-675245480 | 95 | Main component | in stock |
| P-851939827 | N/A | Main component | in stock |
| P-851150776 | 98 | Main component | 2 kg |
| P-866729225 | 95 | Main component | 86.8 g |
| P-864112954 | 98 | Main component | in stock |
| P-666961789 | 95 | Main component | 1.774 kg |
| P-901462153 | 95 | Main component | by synthesis |
| P-851285730 | 95 | Main component | by synthesis |
| P-868599308 | 98 | Main component | in stock |
| P-861975970 | 90 | Main component | 3.50352 kg |
| P-905340383 | 90 | Main component | 445 g |
| P-666810402 | 95 | Main component | by synthesis |
| P-860787672 | 95 | Main component | by synthesis |
| P-1272594704 | 97 | Main component | 3 kg |
| P-852498169 | 97 | Main component | by synthesis |
| P-902978632 | 95 | Main component | in stock |
| P-885560682 | 95 | Main component | by synthesis |
| P-851380696 | 95 | Main component | 7.1506 kg |
| P-873214222 | 90 | Main component | in stock |
| P-906774331 | 99 | Main component | by synthesis |
| P-855005173 | 90 | Main component | in stock |
| P-855065340 | 90 | Main component | in stock |
| P-1271642211 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 180.224 |
| logP | 0.9769 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 82.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.9296 |
| Atoms | 23 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

