Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3685536364
Compound
Show structures
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 | 39 USD | 92 | 15 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 87 USD | 90 | 24 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.
-
2
MCULE-6058080593
- Component type: Main
-
1
MCULE-3743781291
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3685536364.sdf |
| SMILES | MCULE-3685536364.smiles |
| Standard InChI | MCULE-3685536364.inchi |
| InChIKey | MCULE-3685536364.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-33409188 | 90 | As is | in stock |
| P-615710222 | 95 | Main component | by resynthesis (? - ? days) |
| P-1275270486 | 95 | Main component | 2 g |
| P-1275575102 | 90 | Main component | 29.95 g |
| P-851875814 | N/A | Main component | by synthesis |
| P-489185445 | 97 | Main component | in stock |
| P-1275485516 | 95 | Main component | in stock |
| P-591023593 | 95 | Main component | by synthesis |
| P-19858915 | 90 | Main component | in stock |
| P-851288628 | 95 | Main component | by synthesis |
| P-889394682 | 95 | Main component | 20 g |
| P-502816278 | 90 | Main component | in stock |
| P-13449296 | 92 | Main component | 102 mg |
| P-500155018 | 96 | Main component | in stock |
| P-579677364 | 95 | Main component | by resynthesis (? - ? days) |
| P-852463298 | N/A | Main component | by synthesis |
| P-1274985013 | 95 | Main component | in stock |
| P-491376576 | 95 | Main component | by synthesis |
| P-33923263 | 90 | Main component | in stock |
| P-888495521 | 94 | Main component | by resynthesis (? - ? days) |
| P-611365874 | 90 | Main component | in stock |
| P-666996533 | 95 | Main component | in stock |
| P-869308633 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-893599107 | 90 | Main component as a main component | 164 g |
| P-851421249 | N/A | Main component as a main component | by synthesis |
| P-864090449 | 97 | Main component as a main component | in stock |
| P-590767675 | 97 | Main component as a main component | by synthesis |
| P-619328564 | 90 | Main component as a main component | 151 mg |
| P-851288627 | 95 | Main component as a main component | by synthesis |
| P-861492147 | 97 | Main component as a main component | by synthesis |
| P-500155019 | 96 | Main component as a main component | in stock |
| P-563385112 | 97 | Main component as a main component | 1000 mg |
| P-854938832 | 95 | Main component as a main component | by synthesis |
| P-895860110 | 95 | Main component as a main component | by synthesis |
| P-896594073 | 95 | Main component as a main component | by synthesis |
| P-675078115 | 90 | Main component as a main component | in stock |
| P-611365875 | 90 | Main component as a main component | in stock |
| P-617759142 | 90 | Main component as a main component | 98 mg |
| P-617768382 | 90 | Main component as a main component | 129 mg |
| P-863673177 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 368.339 |
| logP | 4.2306 |
| H-bond acceptors | 9 |
| H-bond donors | 8 |
| Rotatable bonds | 4 |
| PSA | 181.33 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 94.6612 |
| Atoms | 44 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 18 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
