MCULE-9678633557
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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.
-
MCULE-3099397273
- Component type: Main
-
MCULE-9670221054
- Component type: Main
-
MCULE-5821442486
- Component type: Main
-
MCULE-8975443334
- Component type: Main
-
MCULE-9003213595
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9678633557.sdf |
| SMILES | MCULE-9678633557.smiles |
| Standard InChI | MCULE-9678633557.inchi |
| InChIKey | MCULE-9678633557.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903053467 | 99 | As is | 20 g |
| P-903086886 | 98 | As is | 34.9 g |
| P-905484916 | 98 | As is | 10 g |
| P-489166167 | 97 | As is | in stock |
| P-580706708 | 99 | As is | 6.45 g |
| P-615697123 | 98 | As is | 500 mg |
| P-900268585 | N/A | As is | by resynthesis (? - ? days) |
| P-871219033 | N/A | As is | by resynthesis (? - ? days) |
| P-881634191 | 98 | As is | in stock |
| P-851239330 | 95 | As is | by synthesis |
| P-868609366 | 98 | As is | in stock |
| P-608112029 | 98 | As is | 10 g |
| P-608118185 | 98 | As is | 50 g |
| P-852465696 | N/A | As is | in stock |
| P-896627944 | 95 | As is | by synthesis |
| P-902988827 | 95 | As is | by synthesis |
| P-874445491 | 95 | As is | in stock |
| P-865620819 | 95 | As is | in stock |
| P-474020629 | 95 | As is | in stock |
| P-608275346 | 98 | As is | in stock |
| P-579716382 | N/A | As is | in stock |
| P-903123249 | 97 | As a main component | 5 g |
| P-903058646 | 98 | As a main component | 125 g |
| P-903122806 | 95 | As a main component | 25 mg |
| P-489194145 | 97 | As a main component | in stock |
| P-500416109 | 98 | As a main component | by synthesis |
| P-580719329 | 98 | As a main component | 1.35 g |
| P-580726269 | 97 | As a main component | 3.748 g |
| P-851259250 | 95 | As a main component | by synthesis |
| P-861519661 | 95 | As a main component | by synthesis |
| P-868628469 | 98 | As a main component | in stock |
| P-579627453 | 98 | As a main component | 100 g |
| P-852530462 | N/A | As a main component | in stock |
| P-895188267 | 95 | As a main component | by synthesis |
| P-902988863 | 95 | As a main component | by synthesis |
| P-854713956 | 95 | As a main component | in stock |
| P-474020626 | 95 | As a main component | in stock |
| P-608277259 | 98 | As a main component | in stock |
| P-906788612 | 98 | As a main component | by synthesis |
| P-906829950 | 97 | As a main component | by synthesis |
| P-901194517 | N/A | As an isomer | by synthesis |
| P-875894775 | N/A | As an isomer | in stock |
| P-608495587 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 485.936 |
| logP | 4.5359 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 88.61 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 129.8964 |
| Atoms | 59 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 25 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

