MCULE-4819025575-0
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 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-4819025575-0.sdf |
| SMILES | MCULE-4819025575-0.smiles |
| Standard InChI | MCULE-4819025575-0.inchi |
| InChIKey | MCULE-4819025575-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886663031 | 95 | As is | in stock |
| P-889966019 | N/A | As is | by synthesis |
| P-894643932 | 95 | As is | in stock |
| P-903228902 | 95 | As is | 2.5 g |
| P-851614349 | N/A | As is | by synthesis |
| P-889810581 | 95 | As is | by synthesis |
| P-590956188 | 95 | As is | by synthesis |
| P-901562144 | 95 | As is | by synthesis |
| P-861389081 | 95 | As is | by synthesis |
| P-890206921 | 90 | As is | 180 mg |
| P-579490936 | 90 | As is | 180 mg |
| P-524172443 | 95 | As is | unavailable |
| P-854862882 | 95 | As is | by synthesis |
| P-859961746 | 95 | As is | by synthesis |
| P-19723383 | 90 | As is | in stock |
| P-855218477 | 90 | As is | in stock |
| P-2499674 | 90 | As is | 48 mg |
| P-893778460 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 243.257 |
| logP | 2.806 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 50.72 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.3207 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| 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 |

