MCULE-9578855738
- 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 | 31 USD | 98 | 22 working days | Get Quote |
| 5 mg | 31 USD | 95 | 7 working days | Get Quote |
| 10 mg | 47 USD | 95 | 7 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.
-
MCULE-9290748382
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9578855738.sdf |
| SMILES | MCULE-9578855738.smiles |
| Standard InChI | MCULE-9578855738.inchi |
| InChIKey | MCULE-9578855738.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-596870249 | 95 | As is | by synthesis |
| P-852185794 | N/A | As a main component | by synthesis |
| P-893570534 | 90 | As a main component | 16.012 g |
| P-881612373 | N/A | As a main component | in stock |
| P-872725876 | 98 | As a main component | in stock |
| P-896036675 | 95 | As a main component | by synthesis |
| P-890237442 | 97 | As a main component | 2.32 g |
| P-901459810 | 95 | As a main component | by synthesis |
| P-887322479 | 95 | As a main component | by synthesis |
| P-873242416 | 95 | As a main component | 50 mg |
| P-904640755 | 95 | As a main component | by synthesis |
| P-865620869 | 95 | As a main component | in stock |
| P-872669517 | 95 | As a main component | in stock |
| P-888173939 | 98 | As a main component | by synthesis |
| P-873282272 | N/A | As a main component | in stock |
| P-869127047 | 95 | As a main component | by synthesis |
| P-892291259 | 95 | As a main component | unavailable |
| P-888640243 | 95 | As a main component | 150 mg |
| P-906858108 | 97 | As a main component | by synthesis |
| P-855065835 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 197.235 |
| logP | 1.349 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.28 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 67.9367 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

