MCULE-6825747401
- 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 | 20 USD | 98 | 16 working days | Get Quote |
| 5 mg | 30 USD | 98 | 16 working days | Get Quote |
| 10 mg | 38 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.
| Name | File |
|---|---|
| SDF | MCULE-6825747401.sdf |
| SMILES | MCULE-6825747401.smiles |
| Standard InChI | MCULE-6825747401.inchi |
| InChIKey | MCULE-6825747401.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875704251 | N/A | As is | in stock |
| P-869289662 | 95 | As is | in stock |
| P-903029290 | 98 | As is | 200 mg |
| P-893610356 | 90 | As is | 4.144 g |
| P-606917627 | N/A | As is | in stock |
| P-489137772 | 97 | As is | in stock |
| P-881089215 | N/A | As is | 200 mg |
| P-864150087 | 95 | As is | in stock |
| P-890244164 | 98 | As is | 125 mg |
| P-851260967 | 95 | As is | by synthesis |
| P-860799143 | 98 | As is | in stock |
| P-861363506 | 95 | As is | by synthesis |
| P-579480538 | 95 | As is | in stock |
| P-675217649 | 95 | As is | in stock |
| P-873244795 | 97 | As is | 100 mg |
| P-854721724 | 95 | As is | in stock |
| P-474021235 | 95 | As is | in stock |
| P-871076215 | 95 | As is | in stock |
| P-878640734 | 98 | As is | in stock |
| P-869149287 | 95 | As is | by synthesis |
| P-892293276 | 95 | As is | unavailable |
| P-888650092 | 95 | As is | 184 mg |
| P-906837710 | 99 | As is | by synthesis |
| P-855351729 | 90 | As is | in stock |
| P-868495747 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 355.391 |
| logP | 1.613 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 102.16 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 96.461 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 21 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |

