Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6158459070
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 20 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-7574200941
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6158459070.sdf |
| SMILES | MCULE-6158459070.smiles |
| Standard InChI | MCULE-6158459070.inchi |
| InChIKey | MCULE-6158459070.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-619305665 | 90 | As is | 2 mg |
| P-34682656 | 90 | As is | by synthesis |
| P-887965509 | 95 | As is | by synthesis |
| P-22467332 | 90 | As is | 56 mg |
| P-855351534 | 90 | As is | in stock |
| P-867659368 | 95 | Main component | in stock |
| P-875827799 | 95 | Main component | in stock |
| P-1275178035 | 98 | Main component | in stock |
| P-1275155852 | 95 | Main component | in stock |
| P-1275181022 | 99 | Main component | in stock |
| P-851759894 | N/A | Main component | by synthesis |
| P-489195613 | 97 | Main component | in stock |
| P-888822157 | 98 | Main component | 2 g |
| P-1274809961 | 95 | Main component | by resynthesis (? - ? days) |
| P-864215564 | 95 | Main component | by synthesis |
| P-851286738 | 95 | Main component | by synthesis |
| P-868595139 | 95 | Main component | in stock |
| P-524444065 | 97 | Main component | 1.155 g |
| P-895182294 | 95 | Main component | in stock |
| P-904060044 | 95 | Main component | by synthesis |
| P-1264432706 | 95 | Main component | in stock |
| P-886915928 | 99 | Main component | by synthesis |
| P-875830115 | 95 | Main component as a main component | in stock |
| P-1264929360 | N/A | Main component as a main component | by synthesis |
| P-1275153222 | 95 | Main component as a main component | in stock |
| P-1275181135 | 98 | Main component as a main component | in stock |
| P-1275191023 | 98 | Main component as a main component | in stock |
| P-1270270906 | 95 | Main component as a main component | in stock |
| P-675222849 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-606861165 | N/A | Main component as a main component | in stock |
| P-489179223 | 97 | Main component as a main component | in stock |
| P-596972623 | 98 | Main component as a main component | 50 g |
| P-1273457518 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1273459832 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864150689 | 95 | Main component as a main component | in stock |
| P-580699304 | 95 | Main component as a main component | 22 g |
| P-893232172 | 95 | Main component as a main component | in stock |
| P-851297208 | 95 | Main component as a main component | by synthesis |
| P-868592621 | 96 | Main component as a main component | in stock |
| P-901406998 | 98 | Main component as a main component | 50 g |
| P-505512946 | 95 | Main component as a main component | in stock |
| P-856009336 | 98 | Main component as a main component | 100 mg |
| P-31138898 | 90 | Main component as a main component | unavailable |
| P-856045455 | 90 | Main component as a main component | unavailable |
| P-854719519 | 95 | Main component as a main component | in stock |
| P-896626882 | 95 | Main component as a main component | by synthesis |
| P-872674876 | 95 | Main component as a main component | in stock |
| P-888172696 | 98 | Main component as a main component | by synthesis |
| P-885538277 | 95 | Main component as a main component | by synthesis |
| P-675096281 | 90 | Main component as a main component | in stock |
| P-617402673 | 98 | Main component as a main component | in stock |
| P-892299517 | 95 | Main component as a main component | unavailable |
| P-869163406 | 95 | Main component as a main component | 99 mg |
| P-888658769 | 95 | Main component as a main component | 199 mg |
| P-502364882 | 90 | Main component as a main component | in stock |
| P-906774740 | 98 | Main component as a main component | by synthesis |
| P-617765896 | 90 | Main component as a main component | 119 mg |
| P-1271669913 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 421.320 |
| logP | 3.309 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 89.91 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 131.4808 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 22 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
