MCULE-8782846784
- 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 | 36 USD | 92 | 15 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-8782846784.sdf |
| SMILES | MCULE-8782846784.smiles |
| Standard InChI | MCULE-8782846784.inchi |
| InChIKey | MCULE-8782846784.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867643716 | 97 | As is | in stock |
| P-875810287 | N/A | As is | in stock |
| P-869198708 | 95 | As is | in stock |
| P-903170988 | 95 | As is | 1000 mg |
| P-851532298 | N/A | As is | by synthesis |
| P-590857957 | 95 | As is | by synthesis |
| P-454690265 | 90 | As is | in stock |
| P-4532898 | 90 | As is | 47 mg |
| P-34795539 | 90 | As is | by synthesis |
| P-580775007 | 90 | As is | by resynthesis (? - ? days) |
| P-580764495 | 90 | As is | in stock |
| P-502471756 | 95 | As is | by synthesis |
| P-12897657 | 92 | As is | 237 mg |
| P-580489898 | 95 | As is | by synthesis |
| P-852605444 | N/A | As is | in stock |
| P-854859943 | 95 | As is | by synthesis |
| P-500393636 | 98 | As is | by synthesis |
| P-856063648 | 95 | As is | in stock |
| P-18845036 | 90 | As is | in stock |
| P-454035317 | 90 | As is | 14 mg |
| P-502341591 | 90 | As is | in stock |
| P-22471610 | 90 | As is | 28 mg |
| P-855230637 | 90 | As is | in stock |
| P-1013121 | 90 | As is | 1.053 g |
| P-596528158 | 90 | As is | 1.053 g |
| P-893676507 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 274.311 |
| logP | 3.8543 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 59.67 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 75.9163 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

