MCULE-7411943576
- 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 | 26 USD | 98 | 19 working days | Get Quote |
| 5 mg | 26 USD | 98 | 19 working days | Get Quote |
| 10 mg | 26 USD | 98 | 19 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-7411943576.sdf |
| SMILES | MCULE-7411943576.smiles |
| Standard InChI | MCULE-7411943576.inchi |
| InChIKey | MCULE-7411943576.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634550 | 95 | As is | in stock |
| P-875799602 | N/A | As is | in stock |
| P-590401050 | 95 | As is | in stock |
| P-903153796 | 98 | As is | 8 g |
| P-893572930 | 90 | As is | 35.518 g |
| P-606921251 | N/A | As is | in stock |
| P-596967334 | 98 | As is | 7 g |
| P-895945219 | 95 | As is | by resynthesis (? - ? days) |
| P-864173247 | 95 | As is | in stock |
| P-890235799 | 95 | As is | by synthesis |
| P-905263563 | 95 | As is | in stock |
| P-889432278 | 98 | As is | 8.39 g |
| P-18759904 | 95 | As is | 1.881 g |
| P-454400623 | 95 | As is | 1.881 g |
| P-852544859 | N/A | As is | in stock |
| P-863675620 | 95 | As is | in stock |
| P-888883023 | N/A | As is | in stock |
| P-596749241 | 95 | As is | 1.25 g |
| P-906801631 | 98 | As is | by synthesis |
| P-855332751 | 90 | As is | in stock |
| P-615410194 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 324.101 |
| logP | 3.8076 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 66.49 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 71.149 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 7 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |

