Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4769778286-0
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 | 20 USD | 99 | 20 working days | Get Quote |
| 5 mg | 20 USD | 99 | 20 working days | Get Quote |
| 10 mg | 20 USD | 99 | 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-3726407978-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4769778286-0.sdf |
| SMILES | MCULE-4769778286-0.smiles |
| Standard InChI | MCULE-4769778286-0.inchi |
| InChIKey | MCULE-4769778286-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489157105 | 97 | As is | in stock |
| P-1273456816 | 95 | As is | by resynthesis (? - ? days) |
| P-504653976 | 90 | As is | 5 mg |
| P-492241174 | 95 | As is | in stock |
| P-26456054 | 90 | As is | 43 mg |
| P-867535643 | N/A | Main component | in stock |
| P-875690911 | N/A | Main component | in stock |
| P-893608864 | 90 | Main component | 1.702 g |
| P-868825054 | 98 | Main component | 1000 mg |
| P-1273257025 | 95 | Main component | by resynthesis (? - ? days) |
| P-905466575 | 95 | Main component | in stock |
| P-901474491 | 95 | Main component | by synthesis |
| P-505576001 | 98 | Main component | in stock |
| P-887322400 | 96 | Main component | by synthesis |
| P-1273142653 | 98 | Main component | 1.25 g |
| P-868079515 | 95 | Main component | in stock |
| P-888624393 | 95 | Main component | 5 mg |
| P-579694101 | 99 | Main component | by resynthesis (? - ? days) |
| P-852468922 | 95 | Main component | by synthesis |
| P-904639672 | 95 | Main component | in stock |
| P-872683280 | 95 | Main component | in stock |
| P-888172685 | 98 | Main component | by synthesis |
| P-34058881 | 90 | Main component | 47 mg |
| P-596854431 | 95 | Main component | by synthesis |
| P-617403328 | 98 | Main component | in stock |
| P-892299705 | 95 | Main component | unavailable |
| P-869163510 | 95 | Main component | 96 mg |
| P-888658859 | 95 | Main component | 81 mg |
| P-611474972 | 90 | Main component | in stock |
| P-875763423 | 98 | Main component as a main component | in stock |
| P-1275180822 | 99 | Main component as a main component | in stock |
| P-1275159403 | 95 | Main component as a main component | in stock |
| P-1275175823 | 98 | Main component as a main component | in stock |
| P-580194242 | 98 | Main component as a main component | in stock |
| P-1264048203 | 98 | Main component as a main component | in stock |
| P-893617984 | 90 | Main component as a main component | 97.621 g |
| P-596960520 | 99 | Main component as a main component | 25 g |
| P-864171372 | 98 | Main component as a main component | in stock |
| P-893237936 | 95 | Main component as a main component | in stock |
| P-617322994 | 90 | Main component as a main component | in stock |
| P-851278543 | 95 | Main component as a main component | by synthesis |
| P-868594642 | 95 | Main component as a main component | in stock |
| P-608498883 | 95 | Main component as a main component | in stock |
| P-862056876 | 98 | Main component as a main component | 25 g |
| P-500418248 | 98 | Main component as a main component | in stock |
| P-870661929 | 99 | Main component as a main component | in stock |
| P-505528553 | 95 | Main component as a main component | in stock |
| P-488547331 | 90 | Main component as a main component | in stock |
| P-24172219 | 92 | Main component as a main component | 300 mg |
| P-524443329 | 97 | Main component as a main component | 25.107 g |
| P-899990496 | 95 | Main component as a main component | by synthesis |
| P-899992592 | 95 | Main component as a main component | in stock |
| P-1274582815 | 95 | Main component as a main component | in stock |
| P-584626856 | 95 | Main component as a main component | in stock |
| P-608275354 | 98 | Main component as a main component | in stock |
| P-500395621 | 98 | Main component as a main component | by synthesis |
| P-1263956278 | 90 | Main component as a main component | in stock |
| P-885534572 | 95 | Main component as a main component | by synthesis |
| P-579711513 | 98 | Main component as a main component | in stock |
| P-611474973 | 90 | Main component as a main component | in stock |
| P-617739236 | 90 | Main component as a main component | 259 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 443.957 |
| logP | 5.6884 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 35.02 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 125.069 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 25 |
| Heteroatoms | 8 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
