MCULE-6406860494
- 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 | 26 USD | 98 | 9 working days | Get Quote |
| 5 mg | 26 USD | 98 | 9 working days | Get Quote |
| 10 mg | 26 USD | 98 | 9 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-6406860494.sdf |
| SMILES | MCULE-6406860494.smiles |
| Standard InChI | MCULE-6406860494.inchi |
| InChIKey | MCULE-6406860494.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1274660523 | 95 | As is | by synthesis |
| P-869337449 | 95 | As is | by resynthesis (? - ? days) |
| P-903065223 | 95 | As is | 250 mg |
| P-904303359 | 90 | As is | by synthesis |
| P-904740962 | N/A | As is | by synthesis |
| P-889477788 | 95 | As is | by synthesis |
| P-611007713 | 95 | As is | by synthesis |
| P-901443588 | 95 | As is | by synthesis |
| P-868614975 | 98 | As is | in stock |
| P-580292484 | N/A | As is | by resynthesis (? - ? days) |
| P-596574699 | 97 | As is | 1000 mg |
| P-31134619 | 90 | As is | 2 g |
| P-580484777 | 95 | As is | by synthesis |
| P-35163847 | 90 | As is | in stock |
| P-854798152 | 95 | As is | by synthesis |
| P-500397586 | 99 | As is | by synthesis |
| P-889870016 | 95 | As is | by synthesis |
| P-535686522 | 97 | As is | in stock |
| P-906865240 | 99 | As is | by synthesis |
| P-855230001 | 90 | As is | in stock |
| P-1279136482 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.295 |
| logP | 2.9434 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 44.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.7925 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| 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 |

