Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8629406034-0
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 | 50 USD | N/A | 9 working days | Get Quote |
| 5 mg | 210 USD | N/A | 9 working days | Get Quote |
| 10 mg | 390 USD | 95 | 7 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-2667390523-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8629406034-0.sdf |
| SMILES | MCULE-8629406034-0.smiles |
| Standard InChI | MCULE-8629406034-0.inchi |
| InChIKey | MCULE-8629406034-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892861053 | 99 | As is | in stock |
| P-890153621 | N/A | As is | in stock |
| P-864308078 | 95 | As is | by synthesis |
| P-904640775 | 95 | As is | by synthesis |
| P-895180924 | 95 | As is | in stock |
| P-893607153 | 90 | Main component | 1000 mg |
| P-888622546 | 95 | Main component | 100 mg |
| P-895188745 | 95 | Main component | by synthesis |
| P-869146120 | 95 | Main component | by synthesis |
| P-892293110 | 95 | Main component | unavailable |
| P-888648757 | 95 | Main component | 100 mg |
| P-892858941 | 95 | Main component as a main component | in stock |
| P-901263183 | N/A | Main component as a main component | in stock |
| P-869258311 | 95 | Main component as a main component | in stock |
| P-903113285 | 98 | Main component as a main component | 25 mg |
| P-904320050 | 90 | Main component as a main component | 449 mg |
| P-895096428 | 99 | Main component as a main component | 25 mg |
| P-580452262 | 99 | Main component as a main component | in stock |
| P-868660267 | 95 | Main component as a main component | in stock |
| P-904640776 | 95 | Main component as a main component | by synthesis |
| P-895180929 | 95 | Main component as a main component | in stock |
| P-896070945 | 95 | Main component as a main component | in stock |
| P-869109439 | 95 | Main component as a main component | by synthesis |
| P-904244296 | 95 | Main component as a main component | unavailable |
| P-888628066 | 95 | Main component as a main component | 199 mg |
| P-855051706 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 567.382 |
| logP | 5.0139 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 12 |
| PSA | 131.86 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 133.6714 |
| Atoms | 64 |
| Rings | 3 |
| Heavy atoms | 37 |
| Hydrogen atoms | 27 |
| Heteroatoms | 14 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
