MCULE-3407089541
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 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-6874559692
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3407089541.sdf |
| SMILES | MCULE-3407089541.smiles |
| Standard InChI | MCULE-3407089541.inchi |
| InChIKey | MCULE-3407089541.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-885956622 | 95 | As is | by synthesis |
| P-904495493 | 95 | As is | in stock |
| P-851419174 | N/A | As is | by synthesis |
| P-611016025 | 95 | As is | by synthesis |
| P-895481023 | 95 | As is | by synthesis |
| P-886646618 | 95 | Main component | in stock |
| P-875830487 | N/A | Main component | in stock |
| P-869304659 | 95 | Main component | in stock |
| P-903205733 | 95 | Main component | 5 g |
| P-851865463 | N/A | Main component | by synthesis |
| P-489125194 | 97 | Main component | in stock |
| P-889807931 | 95 | Main component | by synthesis |
| P-611098413 | 95 | Main component | by synthesis |
| P-619929219 | 90 | Main component | by synthesis |
| P-34907773 | 90 | Main component | in stock |
| P-861479671 | 95 | Main component | by synthesis |
| P-596585723 | 90 | Main component | 1000 mg |
| P-31183175 | 90 | Main component | unavailable |
| P-588249982 | N/A | Main component | by synthesis |
| P-852393930 | N/A | Main component | in stock |
| P-854871326 | 95 | Main component | by synthesis |
| P-885515968 | 95 | Main component | by synthesis |
| P-18909814 | 90 | Main component | in stock |
| P-502385371 | 90 | Main component | in stock |
| P-22453448 | 90 | Main component | 172 mg |
| P-611571919 | 90 | Main component | in stock |
| P-3242128 | 90 | Main component | 16.395 g |
| P-3215404 | 90 | Main component | 16.395 g |
| P-366327 | 90 | Main component | 16.395 g |
| P-893839976 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 200.664 |
| logP | 3.0735 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.9311 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

