MCULE-2311115551
- 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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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.
-
1
MCULE-8059108702
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2311115551.sdf |
| SMILES | MCULE-2311115551.smiles |
| Standard InChI | MCULE-2311115551.inchi |
| InChIKey | MCULE-2311115551.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-494305749 | 95 | As is | 523.799 g |
| P-851273657 | 95 | As is | by synthesis |
| P-868602589 | 97 | As is | in stock |
| P-852606033 | N/A | As is | in stock |
| P-903169370 | 99 | Main component | 10 kg |
| P-1264054376 | 95 | Main component | in stock |
| P-893520626 | 90 | Main component | 129.415 kg |
| P-489125628 | 97 | Main component | in stock |
| P-579788411 | 95 | Main component | 8.46898 kg |
| P-889740483 | 95 | Main component | 750 g |
| P-905501008 | N/A | Main component | in stock |
| P-881631364 | 98 | Main component | in stock |
| P-868362262 | 95 | Main component | by synthesis |
| P-868609348 | 98 | Main component | in stock |
| P-579477647 | 95 | Main component | in stock |
| P-905361447 | 98 | Main component | 3.872 kg |
| P-889117812 | 98 | Main component | 3.872 kg |
| P-493677519 | N/A | Main component | in stock |
| P-852505429 | N/A | Main component | in stock |
| P-904073444 | 95 | Main component | in stock |
| P-854691775 | 95 | Main component | in stock |
| P-608276173 | 98 | Main component | in stock |
| P-888175138 | 98 | Main component | by synthesis |
| P-579711954 | N/A | Main component | in stock |
| P-903034538 | 98 | Main component as a main component | 500 g |
| P-903091839 | 98 | Main component as a main component | 2 kg |
| P-489222983 | 97 | Main component as a main component | in stock |
| P-489239266 | 97 | Main component as a main component | in stock |
| P-868645824 | 95 | Main component as a main component | in stock |
| P-862023858 | 95 | Main component as a main component | 11 g |
| P-862047723 | 98 | Main component as a main component | in stock |
| P-874437060 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 225.152 |
| logP | 0.1504 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 89.21 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.6914 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |

