MCULE-5941795476
- 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 | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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-5941795476.sdf |
| SMILES | MCULE-5941795476.smiles |
| Standard InChI | MCULE-5941795476.inchi |
| InChIKey | MCULE-5941795476.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867559225 | 98 | As is | in stock |
| P-875718985 | 98 | As is | in stock |
| P-597028193 | 97 | As is | unavailable |
| P-1275194216 | 95 | As is | in stock |
| P-903047758 | 97 | As is | 10 g |
| P-905479189 | 97 | As is | 10 g |
| P-893503411 | 90 | As is | 3.44236 kg |
| P-907307537 | 95 | As is | 13.7 g |
| P-1270378260 | 97 | As is | in stock |
| P-580201297 | 95 | As is | 12.65 g |
| P-617064533 | 95 | As is | in stock |
| P-606840722 | N/A | As is | in stock |
| P-489140237 | 97 | As is | in stock |
| P-596927549 | 97 | As is | 1000 g |
| P-864091999 | 97 | As is | in stock |
| P-580727951 | 97 | As is | 172.5 g |
| P-901450404 | 95 | As is | by synthesis |
| P-851292049 | 95 | As is | by synthesis |
| P-868644353 | 96 | As is | in stock |
| P-861985921 | 95 | As is | 1.65616 kg |
| P-901379844 | 95 | As is | 4 g |
| P-905337362 | 95 | As is | 145 g |
| P-505534747 | 95 | As is | in stock |
| P-454399265 | 95 | As is | 1000 mg |
| P-454312892 | 95 | As is | 100 mg |
| P-579612168 | 95 | As is | in stock |
| P-580508443 | 95 | As is | by synthesis |
| P-1272579859 | 95 | As is | 200 g |
| P-852442038 | 95 | As is | by synthesis |
| P-888862451 | N/A | As is | in stock |
| P-889882878 | 95 | As is | by synthesis |
| P-596762666 | 95 | As is | 489.9 g |
| P-873222972 | 90 | As is | in stock |
| P-906906289 | 97 | As is | in stock |
| P-611362740 | 90 | As is | in stock |
| P-1271580094 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.999 |
| logP | 2.9832 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 84.73 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 47.4834 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 3 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |

