MCULE-2560001093
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 32 USD | 95 | 12 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.
-
MCULE-5153630549
- Component type: Main
-
MCULE-2161554854
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2560001093.sdf |
| SMILES | MCULE-2560001093.smiles |
| Standard InChI | MCULE-2560001093.inchi |
| InChIKey | MCULE-2560001093.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886655090 | 95 | As is | in stock |
| P-889950537 | 90 | As is | by synthesis |
| P-903215873 | 95 | As is | 10 g |
| P-851665380 | N/A | As is | by synthesis |
| P-1273288525 | 95 | As is | by resynthesis (? - ? days) |
| P-590867912 | 95 | As is | by synthesis |
| P-901520908 | 95 | As is | by synthesis |
| P-874538203 | 90 | As is | 47 mg |
| P-19855112 | 90 | As is | in stock |
| P-861387465 | 95 | As is | by synthesis |
| P-502505358 | 95 | As is | by synthesis |
| P-488551790 | 90 | As is | in stock |
| P-13779551 | 92 | As is | 300 mg |
| P-852399954 | N/A | As is | by synthesis |
| P-454369632 | 92 | As is | in stock |
| P-13992609 | 92 | As is | 300 mg |
| P-1274337495 | 95 | As is | unavailable |
| P-1274349404 | 95 | As is | 995 mg |
| P-1274359715 | 95 | As is | 995 mg |
| P-888595393 | 94 | As is | by resynthesis (? - ? days) |
| P-893728599 | 95 | As is | by synthesis |
| P-901202871 | N/A | As a main component | by synthesis |
| P-869211347 | 95 | As a main component | by resynthesis (? - ? days) |
| P-851792900 | N/A | As a main component | by synthesis |
| P-864235987 | 97 | As a main component | by synthesis |
| P-591083705 | 97 | As a main component | by synthesis |
| P-619934418 | 90 | As a main component | by synthesis |
| P-584598874 | 95 | As a main component | in stock |
| P-856014265 | 90 | As a main component | unavailable |
| P-854932671 | 95 | As a main component | by synthesis |
| P-675093075 | 90 | As a main component | in stock |
| P-502328481 | 90 | As a main component | in stock |
| P-611508044 | 90 | As a main component | in stock |
| P-893707072 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 219.283 |
| logP | 0.87 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 44.37 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.3964 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 17 |
| 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 |

