Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8764180648-0
Structure
Show compound
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 | 9 USD | 98 | 14 working days | Get Quote |
| 5 mg | 9 USD | 98 | 14 working days | Get Quote |
| 10 mg | 9 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.
-
1
MCULE-7232226851-1
- Component type: Main
-
2
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8764180648-0.sdf |
| SMILES | MCULE-8764180648-0.smiles |
| Standard InChI | MCULE-8764180648-0.inchi |
| InChIKey | MCULE-8764180648-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867638727 | 98 | As is | in stock |
| P-875804177 | 98 | As is | in stock |
| P-874615973 | 97 | As is | by resynthesis (? - ? days) |
| P-903161684 | 97 | As is | 200 g |
| P-893570929 | 90 | As is | 135.75 g |
| P-1270329347 | 98 | As is | in stock |
| P-851928932 | N/A | As is | in stock |
| P-865921761 | 97 | As is | 30 g |
| P-1273460638 | 95 | As is | by resynthesis (? - ? days) |
| P-889579140 | 95 | As is | in stock |
| P-666959663 | 98 | As is | 12.1 g |
| P-870582815 | 95 | As is | in stock |
| P-889442065 | 97 | As is | 66 g |
| P-1275085452 | 97 | As is | 5 g |
| P-872528156 | 95 | As is | in stock |
| P-906821735 | 98 | As is | by synthesis |
| P-867695859 | 98 | Main component as a main component | in stock |
| P-875875906 | 98 | Main component as a main component | in stock |
| P-874606485 | 98 | Main component as a main component | by resynthesis (? - ? days) |
| P-903372205 | 98 | Main component as a main component | 30 g |
| P-893571155 | 90 | Main component as a main component | 10 g |
| P-1270380695 | 98 | Main component as a main component | in stock |
| P-851930489 | N/A | Main component as a main component | in stock |
| P-865939918 | 98 | Main component as a main component | 10 g |
| P-1273383014 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889579467 | 95 | Main component as a main component | in stock |
| P-666959962 | 98 | Main component as a main component | 6.25 g |
| P-870582014 | 98 | Main component as a main component | in stock |
| P-1275085179 | 97 | Main component as a main component | 5 g |
| P-906840625 | 98 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 162.051 |
| logP | -2.8777 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 80.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 21.001 |
| Atoms | 14 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 4 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 2 |
| 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 |
