Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9954472748-0
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 | 29 USD | 95 | 7 working days | Get Quote |
| 5 mg | 29 USD | 95 | 7 working days | Get Quote |
| 10 mg | 29 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.
-
1
MCULE-3859265533-0
- Component type: Main
-
1
MCULE-7245694496-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9954472748-0.sdf |
| SMILES | MCULE-9954472748-0.smiles |
| Standard InChI | MCULE-9954472748-0.inchi |
| InChIKey | MCULE-9954472748-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892861538 | 98 | As is | in stock |
| P-893611121 | 90 | As is | 1000 mg |
| P-889752513 | N/A | As is | in stock |
| P-865917528 | 98 | As is | 1000 mg |
| P-889791851 | 95 | As is | in stock |
| P-893253934 | 95 | As is | by synthesis |
| P-899782155 | 97 | As is | 50 mg |
| P-1274335706 | 95 | As is | unavailable |
| P-1274347684 | 95 | As is | 945 mg |
| P-1274358072 | 95 | As is | 893 mg |
| P-855354546 | 90 | As is | in stock |
| P-1271701666 | 98 | As is | in stock |
| P-867541805 | 98 | Main component as a main component | in stock |
| P-892862063 | 98 | Main component as a main component | in stock |
| P-893449092 | 90 | Main component as a main component | 850 mg |
| P-893591058 | 90 | Main component as a main component | 94.12 g |
| P-1270329813 | 98 | Main component as a main component | in stock |
| P-606914064 | N/A | Main component as a main component | in stock |
| P-888929880 | N/A | Main component as a main component | by synthesis |
| P-895099050 | 98 | Main component as a main component | 800 mg |
| P-596938416 | 98 | Main component as a main component | 50 g |
| P-895930043 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-896028683 | 95 | Main component as a main component | in stock |
| P-864138494 | 95 | Main component as a main component | in stock |
| P-893227489 | 95 | Main component as a main component | in stock |
| P-905410443 | 98 | Main component as a main component | 25 mg |
| P-905359913 | 98 | Main component as a main component | 650 mg |
| P-889436855 | 98 | Main component as a main component | 19.12 g |
| P-899783199 | 97 | Main component as a main component | 5 mg |
| P-454396079 | 90 | Main component as a main component | 500 mg |
| P-500396740 | 98 | Main component as a main component | by synthesis |
| P-869109905 | 95 | Main component as a main component | 394 mg |
| P-892287421 | 95 | Main component as a main component | 2.087 g |
| P-888628371 | 95 | Main component as a main component | 2.087 g |
| P-906883871 | 98 | Main component as a main component | by synthesis |
| P-611447467 | 90 | Main component as a main component | in stock |
| P-611507662 | 90 | Main component as a main component | in stock |
| P-611348953 | 90 | Main component as a main component | in stock |
| P-1271614184 | 99 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 774.187 |
| logP | 12.3964 |
| H-bond acceptors | 9 |
| H-bond donors | 0 |
| Rotatable bonds | 38 |
| PSA | 127.41 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 224.6948 |
| Atoms | 136 |
| Rings | 0 |
| Heavy atoms | 53 |
| Hydrogen atoms | 83 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
