MCULE-6351519169-0
- 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 | 14 USD | N/A | 9 working days | Get Quote |
| 5 mg | 21 USD | N/A | 9 working days | Get Quote |
| 10 mg | 30 USD | N/A | 9 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-6351519169-0.sdf |
| SMILES | MCULE-6351519169-0.smiles |
| Standard InChI | MCULE-6351519169-0.inchi |
| InChIKey | MCULE-6351519169-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-590359873 | 98 | As is | in stock |
| P-505402078 | 95 | As is | in stock |
| P-610963085 | 90 | As is | 84.721 g |
| P-606838574 | N/A | As is | in stock |
| P-489179548 | 97 | As is | in stock |
| P-596962988 | 99 | As is | 200 mg |
| P-864133297 | 95 | As is | in stock |
| P-860055874 | 98 | As is | by synthesis |
| P-868544399 | 99 | As is | in stock |
| P-584628857 | 98 | As is | 1.4 g |
| P-871219443 | N/A | As is | by resynthesis (? - ? days) |
| P-893222262 | 95 | As is | in stock |
| P-881634151 | 98 | As is | in stock |
| P-851239526 | 95 | As is | by synthesis |
| P-861514096 | 95 | As is | by synthesis |
| P-579478435 | 95 | As is | in stock |
| P-505546799 | 95 | As is | in stock |
| P-852519484 | N/A | As is | in stock |
| P-896627790 | 95 | As is | by synthesis |
| P-854715938 | 95 | As is | in stock |
| P-474021274 | 95 | As is | in stock |
| P-608269714 | 98 | As is | in stock |
| P-579711260 | N/A | As is | in stock |
| P-904082701 | 97 | As is | 180 mg |
| P-611488366 | 90 | As is | in stock |
| P-611356923 | 90 | As is | in stock |
| P-854633788 | 95 | As is | in stock |
| P-524167308 | 95 | As an isomer | 100 mg |
| P-608114955 | 98 | As an isomer | 1000 mg |
| P-889872760 | 95 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 463.571 |
| logP | 4.1178 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 91.51 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 141.0186 |
| Atoms | 67 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 33 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |

