MCULE-3760663863
- 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 | 28 USD | 98 | 16 working days | Get Quote |
| 5 mg | 28 USD | 98 | 16 working days | Get Quote |
| 10 mg | 28 USD | 98 | 16 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-3760663863.sdf |
| SMILES | MCULE-3760663863.smiles |
| Standard InChI | MCULE-3760663863.inchi |
| InChIKey | MCULE-3760663863.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867677507 | 98 | As is | in stock |
| P-875854845 | N/A | As is | in stock |
| P-903293896 | 98 | As is | 200 mg |
| P-610974913 | 90 | As is | 5.868 g |
| P-851940948 | N/A | As is | in stock |
| P-873299608 | 98 | As is | 200 mg |
| P-873437184 | 98 | As is | 191 mg |
| P-878235675 | 95 | As is | by synthesis |
| P-861379831 | 95 | As is | by synthesis |
| P-579482057 | 95 | As is | in stock |
| P-873248721 | 97 | As is | 50 mg |
| P-854718907 | 95 | As is | in stock |
| P-871075694 | 95 | As is | in stock |
| P-878640575 | 98 | As is | in stock |
| P-869160960 | 95 | As is | by synthesis |
| P-892294965 | 95 | As is | unavailable |
| P-888656188 | 95 | As is | 50 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 468.459 |
| logP | 4.4534 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 145.34 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 121.5464 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 17 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

