MCULE-8373411980
- 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 | 17 USD | N/A | 9 working days | Get Quote |
| 5 mg | 17 USD | N/A | 9 working days | Get Quote |
| 10 mg | 17 USD | N/A | 9 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-8373411980.sdf |
| SMILES | MCULE-8373411980.smiles |
| Standard InChI | MCULE-8373411980.inchi |
| InChIKey | MCULE-8373411980.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612083 | 95 | As is | in stock |
| P-875771734 | N/A | As is | in stock |
| P-853426444 | 95 | As is | in stock |
| P-903112704 | 95 | As is | 250 mg |
| P-606895150 | N/A | As is | in stock |
| P-889474427 | 95 | As is | by synthesis |
| P-591082379 | 95 | As is | by synthesis |
| P-54592 | 90 | As is | 6 mg |
| P-861378531 | 95 | As is | by synthesis |
| P-617831125 | 92 | As is | 47 mg |
| P-579459472 | 97 | As is | 15.313 g |
| P-596547043 | 97 | As is | 15.313 g |
| P-854802821 | 95 | As is | by synthesis |
| P-889866476 | 95 | As is | by synthesis |
| P-868129387 | 90 | As is | in stock |
| P-906830533 | 95 | As is | by synthesis |
| P-25623833 | 90 | As is | 6 mg |
| P-893949432 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 279.375 |
| logP | 4.6721 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 87.1627 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 21 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

