MCULE-9186238735
- 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 | 30 USD | 98 | 22 working days | Get Quote |
| 5 mg | 40 USD | 95 | 7 working days | Get Quote |
| 10 mg | 67 USD | 95 | 7 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-1303008736
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9186238735.sdf |
| SMILES | MCULE-9186238735.smiles |
| Standard InChI | MCULE-9186238735.inchi |
| InChIKey | MCULE-9186238735.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-899988005 | 95 | As is | by synthesis |
| P-869150602 | 95 | As is | unavailable |
| P-888650574 | 95 | As is | unavailable |
| P-867624348 | N/A | Main component | in stock |
| P-875787139 | 98 | Main component | in stock |
| P-892787686 | 95 | Main component | by resynthesis (? - ? days) |
| P-893604963 | 90 | Main component | 1.005 g |
| P-1270314165 | 98 | Main component | in stock |
| P-851484941 | N/A | Main component | by synthesis |
| P-888818207 | N/A | Main component | 50 mg |
| P-1273453371 | 95 | Main component | by resynthesis (? - ? days) |
| P-1268610247 | 95 | Main component | by synthesis |
| P-590870799 | 98 | Main component | by synthesis |
| P-887183560 | 95 | Main component | by synthesis |
| P-901411531 | 98 | Main component | 100 mg |
| P-873245170 | 97 | Main component | 5 mg |
| P-854714125 | 95 | Main component | in stock |
| P-904641305 | 95 | Main component | by synthesis |
| P-888170568 | 98 | Main component | by synthesis |
| P-892287097 | 95 | Main component | unavailable |
| P-869108875 | 95 | Main component | 238 mg |
| P-888627697 | 95 | Main component | 238 mg |
| P-1271685658 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 462.564 |
| logP | 3.9508 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 141.41 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 125.2705 |
| Atoms | 62 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 30 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |

