Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8336427742
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 28 USD | 98 | 16 working days | Get Quote |
| 5 mg | 32 USD | 95 | 7 working days | Get Quote |
| 10 mg | 32 USD | 95 | 7 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-9732481803
- Component type: Main
-
MCULE-1661276132
- Component type: Main
-
MCULE-8173217631
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8336427742.sdf |
| SMILES | MCULE-8336427742.smiles |
| Standard InChI | MCULE-8336427742.inchi |
| InChIKey | MCULE-8336427742.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867294102 | 98 | As is | by synthesis |
| P-889910546 | 98 | As is | by synthesis |
| P-853432767 | 95 | As is | by resynthesis (? - ? days) |
| P-851496546 | N/A | As is | by synthesis |
| P-590774225 | 98 | As is | by synthesis |
| P-901452463 | 95 | As is | by synthesis |
| P-851286700 | 95 | As is | by synthesis |
| P-579479207 | 95 | As is | in stock |
| P-579691786 | 95 | As is | by resynthesis (? - ? days) |
| P-895197035 | 95 | As is | by synthesis |
| P-1274346867 | 95 | As is | unavailable |
| P-1274357531 | 95 | As is | unavailable |
| P-867678158 | 98 | As a main component | in stock |
| P-875855174 | 98 | As a main component | in stock |
| P-869216144 | 95 | As a main component | by resynthesis (? - ? days) |
| P-874642118 | N/A | As a main component | by resynthesis (? - ? days) |
| P-903298547 | 98 | As a main component | 250 mg |
| P-1264051851 | 99 | As a main component | in stock |
| P-893543606 | 90 | As a main component | 3.173 g |
| P-1270371638 | 95 | As a main component | in stock |
| P-1264202117 | N/A | As a main component | by synthesis |
| P-489114543 | 97 | As a main component | in stock |
| P-865931444 | 95 | As a main component | 500 mg |
| P-1273268623 | 95 | As a main component | by resynthesis (? - ? days) |
| P-889592975 | 95 | As a main component | in stock |
| P-860056699 | 98 | As a main component | by synthesis |
| P-901493663 | 95 | As a main component | by synthesis |
| P-901531619 | 95 | As a main component | by synthesis |
| P-580451357 | 98 | As a main component | in stock |
| P-887206398 | 95 | As a main component | by synthesis |
| P-1273109530 | 97 | As a main component | 100 mg |
| P-854717246 | 95 | As a main component | in stock |
| P-902980418 | 95 | As a main component | by synthesis |
| P-904640757 | 95 | As a main component | by synthesis |
| P-474027277 | 95 | As a main component | in stock |
| P-878643890 | 98 | As a main component | in stock |
| P-892291539 | 95 | As a main component | unavailable |
| P-869127803 | 95 | As a main component | 199 mg |
| P-888640751 | 95 | As a main component | 199 mg |
| P-855066026 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 283.407 |
| logP | 3.998 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 8 |
| PSA | 12.47 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 89.318 |
| Atoms | 46 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 25 |
| Heteroatoms | 2 |
| 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 |
