MCULE-4811719958-0
- 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 | 30 USD | 98 | 22 working days | Get Quote |
| 5 mg | 30 USD | 98 | 22 working days | Get Quote |
| 10 mg | 50 USD | 98 | 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-4811719958-0.sdf |
| SMILES | MCULE-4811719958-0.smiles |
| Standard InChI | MCULE-4811719958-0.inchi |
| InChIKey | MCULE-4811719958-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867599253 | N/A | As is | in stock |
| P-875757485 | 95 | As is | in stock |
| P-869326487 | 95 | As is | by resynthesis (? - ? days) |
| P-903091985 | 98 | As is | 500 mg |
| P-893605769 | 90 | As is | 6.202 g |
| P-1270405492 | 99 | As is | in stock |
| P-889751811 | N/A | As is | in stock |
| P-900245112 | 98 | As is | 500 mg |
| P-1273457098 | 95 | As is | by resynthesis (? - ? days) |
| P-901335047 | 95 | As is | in stock |
| P-860055969 | 98 | As is | by synthesis |
| P-580450689 | 99 | As is | in stock |
| P-887184287 | 95 | As is | by synthesis |
| P-868660238 | 95 | As is | in stock |
| P-580303643 | 95 | As is | by resynthesis (? - ? days) |
| P-873243982 | 97 | As is | 5 mg |
| P-854714612 | 95 | As is | in stock |
| P-888173406 | 98 | As is | by synthesis |
| P-491319093 | 95 | As is | by synthesis |
| P-892288871 | 95 | As is | unavailable |
| P-869118645 | 95 | As is | 135 mg |
| P-888633688 | 95 | As is | 135 mg |
| P-1271706200 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 324.223 |
| logP | 4.9061 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 54.4 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 88.6397 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

