MCULE-5407111505
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-5407111505.sdf |
| SMILES | MCULE-5407111505.smiles |
| Standard InChI | MCULE-5407111505.inchi |
| InChIKey | MCULE-5407111505.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875723217 | N/A | As is | in stock |
| P-869192263 | 95 | As is | in stock |
| P-588246722 | 98 | As is | in stock |
| P-903052823 | 98 | As is | 1.5 kg |
| P-606843694 | N/A | As is | in stock |
| P-596982682 | 98 | As is | 200 g |
| P-895934155 | 95 | As is | by resynthesis (? - ? days) |
| P-895944530 | 95 | As is | by resynthesis (? - ? days) |
| P-864196659 | 95 | As is | in stock |
| P-901465898 | 95 | As is | by synthesis |
| P-868579821 | 98 | As is | in stock |
| P-905324883 | 98 | As is | in stock |
| P-865986707 | 90 | As is | 50 g |
| P-890222360 | 90 | As is | in stock |
| P-505492049 | 95 | As is | in stock |
| P-454317522 | 95 | As is | 100 mg |
| P-454400993 | 95 | As is | 50 g |
| P-905476292 | 95 | As is | unavailable |
| P-31256990 | 90 | As is | unavailable |
| P-863715689 | 95 | As is | in stock |
| P-885547598 | 95 | As is | by synthesis |
| P-611569593 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 158.649 |
| logP | 2.7698 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 38.8 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.347 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 7 |
| Heteroatoms | 2 |
| N/O atoms | 0 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

