MCULE-4571824808
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-4571824808.sdf |
| SMILES | MCULE-4571824808.smiles |
| Standard InChI | MCULE-4571824808.inchi |
| InChIKey | MCULE-4571824808.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875748261 | N/A | As is | in stock |
| P-590359318 | 98 | As is | in stock |
| P-903079097 | 98 | As is | 3 kg |
| P-893608754 | 90 | As is | 4.001 kg |
| P-851936950 | N/A | As is | in stock |
| P-596984463 | 98 | As is | 4 kg |
| P-580195890 | 98 | As is | in stock |
| P-895930331 | 95 | As is | by resynthesis (? - ? days) |
| P-1263770708 | 98 | As is | by synthesis |
| P-666961245 | 98 | As is | 2.25 kg |
| P-900268864 | N/A | As is | by resynthesis (? - ? days) |
| P-868614360 | 98 | As is | in stock |
| P-580438825 | 95 | As is | by resynthesis (? - ? days) |
| P-579718186 | 95 | As is | in stock |
| P-905325368 | 98 | As is | in stock |
| P-596565561 | 97 | As is | 100 g |
| P-904259696 | 95 | As is | unavailable |
| P-613276007 | 95 | As is | by synthesis |
| P-580516443 | 98 | As is | 29 g |
| P-852608731 | N/A | As is | in stock |
| P-888172114 | 98 | As is | by synthesis |
| P-889868146 | 95 | As is | by synthesis |
| P-869163133 | 95 | As is | by synthesis |
| P-892298895 | 95 | As is | 1000 mg |
| P-888658533 | 95 | As is | 1000 mg |
| P-906773130 | 98 | As is | by synthesis |
| P-906797770 | 97 | As is | by synthesis |
| P-611449196 | 90 | As is | in stock |
| P-615410472 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 278.368 |
| logP | 4.8652 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 13 |
| PSA | 67.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 80.3991 |
| Atoms | 49 |
| Rings | 0 |
| Heavy atoms | 18 |
| Hydrogen atoms | 31 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

