MCULE-7879762670
- 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 | 66 USD | 95 | 20 working days | Get Quote |
| 5 mg | 66 USD | 95 | 20 working days | Get Quote |
| 10 mg | 66 USD | 95 | 20 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-5117779448
- Component type: Main
-
MCULE-4411387521
- Component type: Main
-
MCULE-6861109226
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7879762670.sdf |
| SMILES | MCULE-7879762670.smiles |
| Standard InChI | MCULE-7879762670.inchi |
| InChIKey | MCULE-7879762670.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875712927 | N/A | As is | in stock |
| P-597025503 | 95 | As is | in stock |
| P-505400931 | 98 | As is | in stock |
| P-903039823 | 95 | As is | 15 g |
| P-893538491 | 90 | As is | 15 g |
| P-489186295 | 97 | As is | in stock |
| P-888814341 | 95 | As is | 15 g |
| P-895957071 | 95 | As is | 1.75 g |
| P-596449013 | 90 | As is | 7 mg |
| P-864174456 | 97 | As is | in stock |
| P-893258411 | 95 | As is | by synthesis |
| P-492266587 | 95 | As is | in stock |
| P-851282411 | 95 | As is | by synthesis |
| P-580404904 | 95 | As is | by resynthesis (? - ? days) |
| P-505627229 | 95 | As is | in stock |
| P-454323292 | 90 | As is | unavailable |
| P-579632555 | 95 | As is | by resynthesis (? - ? days) |
| P-581745542 | 97 | As is | by synthesis |
| P-852556856 | N/A | As is | in stock |
| P-428011937 | 90 | As is | unavailable |
| P-854766816 | 95 | As is | by synthesis |
| P-502428646 | 90 | As is | in stock |
| P-873064864 | 94 | As is | by resynthesis (? - ? days) |
| P-873083323 | 94 | As is | by resynthesis (? - ? days) |
| P-906820320 | 95 | As is | by synthesis |
| P-611577433 | 90 | As is | in stock |
| P-886967652 | 95 | As is | by synthesis |
| P-892891187 | 95 | As a main component | in stock |
| P-867530457 | N/A | As a main component | by synthesis |
| P-901319292 | N/A | As a main component | in stock |
| P-890067145 | N/A | As a main component | by synthesis |
| P-903402362 | 95 | As a main component | 2.5 g |
| P-864207753 | 95 | As a main component | in stock |
| P-887079892 | 95 | As a main component | in stock |
| P-502587608 | 95 | As a main component | by synthesis |
| P-862263630 | 95 | As a main component | 2 g |
| P-579470809 | 95 | As a main component | 1000 mg |
| P-895481831 | 95 | As a main component | by synthesis |
| P-869091000 | 95 | As a main component | by synthesis |
| P-893800648 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.172 |
| logP | 1.2715 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.9543 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| 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 |

