MCULE-6441540374
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 12 USD | 98 | 22 working days | Get Quote |
| 10 mg | 12 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-6441540374.sdf |
| SMILES | MCULE-6441540374.smiles |
| Standard InChI | MCULE-6441540374.inchi |
| InChIKey | MCULE-6441540374.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867662021 | 98 | As is | in stock |
| P-875831047 | 98 | As is | in stock |
| P-1275165740 | 98 | As is | in stock |
| P-580195677 | 98 | As is | in stock |
| P-903206473 | 98 | As is | 10 g |
| P-1264051130 | 95 | As is | in stock |
| P-893617804 | 90 | As is | 98.835 g |
| P-1270295009 | 98 | As is | in stock |
| P-606890750 | N/A | As is | in stock |
| P-489238748 | 97 | As is | in stock |
| P-596972976 | 98 | As is | 2 g |
| P-1273453931 | 95 | As is | by resynthesis (? - ? days) |
| P-895928255 | 95 | As is | by resynthesis (? - ? days) |
| P-864146476 | 95 | As is | in stock |
| P-860056446 | 98 | As is | by synthesis |
| P-580700348 | 98 | As is | 7.6 g |
| P-901515652 | 95 | As is | by synthesis |
| P-851278801 | 95 | As is | by synthesis |
| P-1274921143 | 95 | As is | in stock |
| P-608497748 | 95 | As is | in stock |
| P-862092345 | 98 | As is | 10 g |
| P-870661251 | N/A | As is | in stock |
| P-500158999 | 96 | As is | in stock |
| P-1273109258 | 97 | As is | 1.862 g |
| P-1272589927 | 97 | As is | 10 g |
| P-852470954 | 97 | As is | by synthesis |
| P-854712759 | 95 | As is | in stock |
| P-905146542 | 95 | As is | by synthesis |
| P-584623275 | 95 | As is | in stock |
| P-608276408 | 98 | As is | in stock |
| P-885539895 | 95 | As is | by synthesis |
| P-579712741 | 98 | As is | in stock |
| P-869107621 | 95 | As is | 960 mg |
| P-892286232 | 95 | As is | 960 mg |
| P-888626655 | 95 | As is | 960 mg |
| P-906768417 | 99 | As is | by synthesis |
| P-1271719768 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.349 |
| logP | 3.3045 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 114.35 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.022 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| 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 |

