MCULE-1068331420
- 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 | 14 USD | 95 | 20 working days | Get Quote |
| 5 mg | 14 USD | 95 | 20 working days | Get Quote |
| 10 mg | 14 USD | 95 | 20 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-4346050890
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1068331420.sdf |
| SMILES | MCULE-1068331420.smiles |
| Standard InChI | MCULE-1068331420.inchi |
| InChIKey | MCULE-1068331420.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-896080831 | N/A | As is | 76 mg |
| P-867643608 | 95 | Main component | in stock |
| P-875810218 | N/A | Main component | in stock |
| P-615728181 | 97 | Main component | in stock |
| P-903170042 | 95 | Main component | 20 g |
| P-610984459 | 90 | Main component | 774.519 g |
| P-866098015 | 95 | Main component | 27.8 g |
| P-856054926 | 95 | Main component | by synthesis |
| P-596969487 | 95 | Main component | 900 g |
| P-579790158 | 95 | Main component | by resynthesis (? - ? days) |
| P-864329869 | 95 | Main component | by synthesis |
| P-864105049 | 95 | Main component | in stock |
| P-590712911 | 95 | Main component | 500 mg |
| P-517101770 | 90 | Main component | in stock |
| P-871218339 | 95 | Main component | 57.58 g |
| P-870585391 | 98 | Main component | in stock |
| P-870586906 | 98 | Main component | in stock |
| P-580302928 | 95 | Main component | by resynthesis (? - ? days) |
| P-862026623 | 95 | Main component | 1000 mg |
| P-871252022 | 90 | Main component | 250 mg |
| P-18788082 | 95 | Main component | 8.8 g |
| P-454379105 | 95 | Main component | 8.8 g |
| P-460545118 | 90 | Main component | 117 mg |
| P-852496231 | N/A | Main component | in stock |
| P-35204005 | 97 | Main component | 2.749 kg |
| P-869094169 | 95 | Main component | in stock |
| P-888873489 | N/A | Main component | in stock |
| P-885517107 | 95 | Main component | by synthesis |
| P-19654935 | 90 | Main component | in stock |
| P-896074178 | N/A | Main component | 24.554 g |
| P-896085243 | N/A | Main component | 139 mg |
| P-502397753 | 90 | Main component | in stock |
| P-23112019 | 94 | Main component | by resynthesis (? - ? days) |
| P-906868438 | 95 | Main component | by synthesis |
| P-611591429 | 90 | Main component | in stock |
| P-893939694 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 277.501 |
| logP | 2.6525 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 66.24 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 58.633 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 6 |
| Heteroatoms | 6 |
| 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 |

