MCULE-7803867502
- 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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 USD | 98 | 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-7803867502.sdf |
| SMILES | MCULE-7803867502.smiles |
| Standard InChI | MCULE-7803867502.inchi |
| InChIKey | MCULE-7803867502.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867572179 | 98 | As is | in stock |
| P-875733231 | N/A | As is | in stock |
| P-505352601 | 99 | As is | in stock |
| P-881671591 | 95 | As is | in stock |
| P-903062630 | 98 | As is | 150 g |
| P-606836435 | N/A | As is | in stock |
| P-596950104 | 98 | As is | 600 g |
| P-864160952 | 95 | As is | in stock |
| P-590604379 | 98 | As is | 131 g |
| P-4523686 | 90 | As is | 5 mg |
| P-454712851 | 90 | As is | in stock |
| P-436461162 | 95 | As is | 100 g |
| P-34910493 | 90 | As is | in stock |
| P-868631500 | 98 | As is | in stock |
| P-862021320 | 95 | As is | 877.17 g |
| P-505521541 | 95 | As is | in stock |
| P-856005663 | 99 | As is | 100 mg |
| P-524163221 | 99 | As is | 25 g |
| P-901145213 | 95 | As is | unavailable |
| P-852432441 | N/A | As is | in stock |
| P-900996696 | 95 | As is | in stock |
| P-500397485 | 98 | As is | by synthesis |
| P-885516500 | 95 | As is | by synthesis |
| P-19185413 | 90 | As is | in stock |
| P-596750353 | 98 | As is | 262 g |
| P-502385803 | 90 | As is | in stock |
| P-888588645 | 94 | As is | by resynthesis (? - ? days) |
| P-611394521 | 90 | As is | in stock |
| P-1115912 | 90 | As is | 1.941 g |
| P-464680679 | 90 | As is | 1.941 g |
| P-480866613 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 266.380 |
| logP | 5.2636 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 52.04 |
| RO5 violations | 1 |
| RO3 violations | 1 |
| Refractivity | 86.5078 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 22 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

