MCULE-3064375689-0
- 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 | 70 USD | 95 | 10 working days | Get Quote |
| 5 mg | 82 USD | 95 | 24 working days | Get Quote |
| 10 mg | 82 USD | 95 | 24 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-6714459164-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3064375689-0.sdf |
| SMILES | MCULE-3064375689-0.smiles |
| Standard InChI | MCULE-3064375689-0.inchi |
| InChIKey | MCULE-3064375689-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886783391 | 95 | As is | in stock |
| P-890070881 | 95 | As is | by synthesis |
| P-1264787318 | 95 | As is | 5 g |
| P-1263687422 | N/A | As is | by synthesis |
| P-1263343941 | 95 | As is | by synthesis |
| P-893848263 | 95 | As is | by synthesis |
| P-886613101 | 95 | Main component | in stock |
| P-875797687 | 95 | Main component | in stock |
| P-869202027 | 95 | Main component | by resynthesis (? - ? days) |
| P-1264574628 | 95 | Main component | 10 g |
| P-881624002 | N/A | Main component | by synthesis |
| P-494349873 | 95 | Main component | 805 mg |
| P-889800858 | 95 | Main component | by synthesis |
| P-591083661 | 95 | Main component | by synthesis |
| P-901562660 | 95 | Main component | by synthesis |
| P-861486618 | 95 | Main component | by synthesis |
| P-580393806 | N/A | Main component | by resynthesis (? - ? days) |
| P-889112886 | N/A | Main component | 500 mg |
| P-454406706 | 95 | Main component | 88 mg |
| P-454328620 | 95 | Main component | 88 mg |
| P-613334395 | 95 | Main component | by synthesis |
| P-869024594 | 95 | Main component | by synthesis |
| P-502402185 | 90 | Main component | in stock |
| P-611605879 | 90 | Main component | in stock |
| P-893862316 | 90 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 293.216 |
| logP | 3.0987 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 69.29 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 82.7037 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

