MCULE-7404047073
- 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 | 71 USD | 95 | 7 working days | Get Quote |
| 5 mg | 104 USD | 98 | 11 working days | Get Quote |
| 10 mg | 104 USD | 98 | 11 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-7404047073.sdf |
| SMILES | MCULE-7404047073.smiles |
| Standard InChI | MCULE-7404047073.inchi |
| InChIKey | MCULE-7404047073.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867559941 | N/A | As is | in stock |
| P-875719828 | N/A | As is | in stock |
| P-615725138 | 95 | As is | by resynthesis (? - ? days) |
| P-893590492 | 90 | As is | 321 mg |
| P-1270298834 | 98 | As is | in stock |
| P-851539550 | N/A | As is | by synthesis |
| P-489241950 | 97 | As is | in stock |
| P-1273452396 | 95 | As is | by resynthesis (? - ? days) |
| P-864282442 | 95 | As is | by synthesis |
| P-590796017 | 98 | As is | by synthesis |
| P-900267770 | N/A | As is | by resynthesis (? - ? days) |
| P-452652751 | 98 | As is | in stock |
| P-893628831 | 95 | As is | by synthesis |
| P-873244079 | 97 | As is | 1 mg |
| P-863741518 | 95 | As is | in stock |
| P-878644839 | 98 | As is | in stock |
| P-869179095 | 95 | As is | in stock |
| P-892301100 | 95 | As is | unavailable |
| P-892277198 | 95 | As is | 50 mg |
| P-892353175 | 95 | As is | 50 mg |
| P-886943692 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 328.315 |
| logP | 3.1914 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 78.13 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 89.419 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |

