MCULE-9880309489
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-9880309489.sdf |
| SMILES | MCULE-9880309489.smiles |
| Standard InChI | MCULE-9880309489.inchi |
| InChIKey | MCULE-9880309489.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886671192 | 95 | As is | in stock |
| P-889973183 | N/A | As is | by synthesis |
| P-869330759 | 95 | As is | in stock |
| P-903236853 | 95 | As is | 2.5 g |
| P-851636153 | N/A | As is | by synthesis |
| P-596511154 | 90 | As is | 239 mg |
| P-596339543 | 90 | As is | 239 mg |
| P-590890717 | 95 | As is | by synthesis |
| P-901487222 | 95 | As is | by synthesis |
| P-577134688 | 90 | As is | by synthesis |
| P-619304554 | 90 | As is | 36 mg |
| P-436442611 | 90 | As is | 19.02 g |
| P-123151 | 90 | As is | 1.047 g |
| P-861388223 | 95 | As is | by synthesis |
| P-34735914 | 90 | As is | in stock |
| P-580776645 | 90 | As is | by resynthesis (? - ? days) |
| P-580766016 | 90 | As is | in stock |
| P-579510563 | 90 | As is | 3.2 g |
| P-890208619 | 90 | As is | in stock |
| P-502449262 | 95 | As is | by synthesis |
| P-502683652 | 90 | As is | in stock |
| P-492216453 | 95 | As is | in stock |
| P-488546384 | 90 | As is | in stock |
| P-13353086 | 95 | As is | 300 mg |
| P-596586786 | 90 | As is | 1000 mg |
| P-854868057 | 95 | As is | by synthesis |
| P-454366200 | 92 | As is | in stock |
| P-13505223 | 92 | As is | 300 mg |
| P-885518910 | 95 | As is | by synthesis |
| P-19149682 | 90 | As is | in stock |
| P-22581181 | 90 | As is | in stock |
| P-502333308 | 90 | As is | in stock |
| P-903643021 | 94 | As is | by resynthesis (? - ? days) |
| P-903644689 | 94 | As is | by resynthesis (? - ? days) |
| P-611603221 | 90 | As is | in stock |
| P-3220548 | 90 | As is | 4.1 g |
| P-25113437 | 90 | As is | 4.1 g |
| P-893859063 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.239 |
| logP | 2.0798 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 83.8 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.8863 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

