MCULE-6180442963
- 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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 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-6180442963.sdf |
| SMILES | MCULE-6180442963.smiles |
| Standard InChI | MCULE-6180442963.inchi |
| InChIKey | MCULE-6180442963.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867554810 | 98 | As is | in stock |
| P-875713551 | 98 | As is | in stock |
| P-1275197867 | 98 | As is | in stock |
| P-903040835 | 98 | As is | 200 g |
| P-610992666 | 90 | As is | 196.96 g |
| P-866099911 | 95 | As is | unavailable |
| P-1270305644 | 98 | As is | in stock |
| P-617044465 | 95 | As is | by resynthesis (? - ? days) |
| P-606941887 | N/A | As is | in stock |
| P-489235343 | 97 | As is | in stock |
| P-596927166 | 98 | As is | 7.9 g |
| P-552049057 | 95 | As is | by resynthesis (? - ? days) |
| P-864102004 | 95 | As is | in stock |
| P-580717327 | 98 | As is | 88.6 g |
| P-505609096 | 95 | As is | by synthesis |
| P-871194970 | 95 | As is | by synthesis |
| P-868604551 | 97 | As is | in stock |
| P-862073230 | 98 | As is | 557.16 g |
| P-905350703 | 98 | As is | 49 g |
| P-454414188 | 95 | As is | 1000 mg |
| P-856090498 | 95 | As is | in stock |
| P-852490216 | N/A | As is | by synthesis |
| P-1272592822 | N/A | As is | in stock |
| P-854734175 | 95 | As is | in stock |
| P-596743716 | 95 | As is | 115 g |
| P-611364337 | 90 | As is | in stock |
| P-1271706947 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 201.017 |
| logP | 1.9672 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.5525 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

