MCULE-9311172446
- 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 | 36 USD | 95 | 22 working days | Get Quote |
| 5 mg | 36 USD | 95 | 22 working days | Get Quote |
| 10 mg | 36 USD | 95 | 22 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-5667372795
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9311172446.sdf |
| SMILES | MCULE-9311172446.smiles |
| Standard InChI | MCULE-9311172446.inchi |
| InChIKey | MCULE-9311172446.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892893469 | 95 | As is | in stock |
| P-901317310 | N/A | As is | in stock |
| P-903435836 | 95 | As is | 1000 mg |
| P-904028104 | N/A | As is | by synthesis |
| P-905534839 | 95 | As is | by synthesis |
| P-868573184 | 95 | As is | in stock |
| P-893875345 | 95 | As is | by synthesis |
| P-867640191 | 95 | Main component | in stock |
| P-875805834 | N/A | Main component | in stock |
| P-869274467 | 95 | Main component | in stock |
| P-851769729 | N/A | Main component | by synthesis |
| P-611078850 | 95 | Main component | by synthesis |
| P-492269226 | 95 | Main component | in stock |
| P-5566290 | 90 | Main component | 50 mg |
| P-868568835 | 95 | Main component | in stock |
| P-855948906 | 95 | Main component | 5 g |
| P-854884367 | 95 | Main component | by synthesis |
| P-611608566 | 90 | Main component | in stock |
| P-893677711 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 261.661 |
| logP | 2.7621 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 121.17 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.0084 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

