MCULE-5118879897
- 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 | 51 USD | 95 | 7 working days | Get Quote |
| 5 mg | 69 USD | 98 | 22 working days | Get Quote |
| 10 mg | 69 USD | 98 | 22 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-5118879897.sdf |
| SMILES | MCULE-5118879897.smiles |
| Standard InChI | MCULE-5118879897.inchi |
| InChIKey | MCULE-5118879897.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648853 | 98 | As is | in stock |
| P-875816805 | N/A | As is | in stock |
| P-869229454 | 95 | As is | in stock |
| P-903180076 | 98 | As is | 750 mg |
| P-1264049070 | 95 | As is | in stock |
| P-893584180 | 90 | As is | 868 mg |
| P-606910389 | N/A | As is | in stock |
| P-865924223 | 98 | As is | 150 mg |
| P-872725580 | 98 | As is | in stock |
| P-869399976 | 95 | As is | by synthesis |
| P-606956349 | 98 | As is | 2 mg |
| P-901512133 | 95 | As is | by synthesis |
| P-851283711 | 95 | As is | by synthesis |
| P-860799409 | 98 | As is | in stock |
| P-861381047 | 95 | As is | by synthesis |
| P-900266787 | 95 | As is | in stock |
| P-868079399 | 95 | As is | in stock |
| P-855963372 | 97 | As is | 100 mg |
| P-854718342 | 95 | As is | in stock |
| P-871068560 | 95 | As is | in stock |
| P-608277736 | 98 | As is | in stock |
| P-869125994 | 95 | As is | by synthesis |
| P-892290852 | 95 | As is | 250 mg |
| P-888639453 | 95 | As is | 250 mg |
| P-906803393 | 98 | As is | by synthesis |
| P-893996062 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 501.016 |
| logP | 5.4861 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 56.75 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 152.172 |
| Atoms | 65 |
| Rings | 6 |
| Heavy atoms | 36 |
| Hydrogen atoms | 29 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |

