MCULE-8202856486
- 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 | 39 USD | 95 | 20 working days | Get Quote |
| 5 mg | 39 USD | 95 | 20 working days | Get Quote |
| 10 mg | 39 USD | 95 | 20 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-8202856486.sdf |
| SMILES | MCULE-8202856486.smiles |
| Standard InChI | MCULE-8202856486.inchi |
| InChIKey | MCULE-8202856486.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872827207 | 95 | As is | in stock |
| P-875743146 | N/A | As is | in stock |
| P-892794594 | 98 | As is | in stock |
| P-903073850 | 95 | As is | 3 g |
| P-893519571 | 90 | As is | 8 g |
| P-868821483 | N/A | As is | in stock |
| P-597008176 | 95 | As is | 3 g |
| P-1263772026 | 95 | As is | by synthesis |
| P-893620553 | 95 | As is | in stock |
| P-580443722 | 95 | As is | by resynthesis (? - ? days) |
| P-596570650 | 97 | As is | 1000 mg |
| P-852628629 | N/A | As is | in stock |
| P-35167851 | 90 | As is | 680 g |
| P-864066822 | 95 | As is | by synthesis |
| P-500389905 | 98 | As is | by synthesis |
| P-889865424 | 95 | As is | by synthesis |
| P-502328941 | 90 | As is | in stock |
| P-22511739 | 90 | As is | 1000 mg |
| P-906760051 | 99 | As is | by synthesis |
| P-615415497 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 202.637 |
| logP | 2.6441 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 67.48 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.3137 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 4 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

