MCULE-7861818785-0
- 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-7861818785-0.sdf |
| SMILES | MCULE-7861818785-0.smiles |
| Standard InChI | MCULE-7861818785-0.inchi |
| InChIKey | MCULE-7861818785-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892947711 | N/A | As is | by synthesis |
| P-867554949 | 95 | As is | in stock |
| P-875713856 | N/A | As is | in stock |
| P-869181012 | 95 | As is | in stock |
| P-505396900 | 98 | As is | in stock |
| P-903041191 | 98 | As is | 1000 g |
| P-866096757 | 95 | As is | 10 g |
| P-606946518 | N/A | As is | in stock |
| P-489150714 | 97 | As is | in stock |
| P-596943029 | 95 | As is | 1000 g |
| P-494347309 | 95 | As is | 1.068 kg |
| P-864113926 | 95 | As is | in stock |
| P-889742927 | 95 | As is | 5 g |
| P-851247625 | 95 | As is | by synthesis |
| P-868579435 | 98 | As is | in stock |
| P-580271789 | 95 | As is | by resynthesis (? - ? days) |
| P-905330217 | 97 | As is | 1.6525 kg |
| P-861933936 | 97 | As is | 1.6525 kg |
| P-675214774 | 95 | As is | in stock |
| P-870641460 | 95 | As is | 100 mg |
| P-454408287 | 95 | As is | 1000 mg |
| P-615640773 | 95 | As is | in stock |
| P-579616569 | 98 | As is | 100 g |
| P-31257989 | 90 | As is | unavailable |
| P-613281313 | 95 | As is | by synthesis |
| P-580490237 | N/A | As is | by synthesis |
| P-852496962 | N/A | As is | in stock |
| P-895183087 | 95 | As is | in stock |
| P-500390434 | 97 | As is | by synthesis |
| P-885547915 | 95 | As is | by synthesis |
| P-19424952 | 90 | As is | in stock |
| P-596747012 | 95 | As is | 282 g |
| P-892273881 | 95 | As is | by synthesis |
| P-892298997 | 95 | As is | unavailable |
| P-892350421 | 95 | As is | 10.157 g |
| P-893991565 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.054 |
| logP | 2.13588 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 40.86 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.2215 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| 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 |

