Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3320594920
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 | 33 USD | 98 | 16 working days | Get Quote |
| 5 mg | 52 USD | 98 | 16 working days | Get Quote |
| 10 mg | 90 USD | 98 | 16 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-4228125461
- Component type: Main
-
1
MCULE-3549142744
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3320594920.sdf |
| SMILES | MCULE-3320594920.smiles |
| Standard InChI | MCULE-3320594920.inchi |
| InChIKey | MCULE-3320594920.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875857150 | N/A | As is | in stock |
| P-903310067 | 95 | As is | 200 mg |
| P-1264196050 | 95 | As is | by synthesis |
| P-887191240 | 95 | As is | by synthesis |
| P-1275598705 | 95 | As is | by synthesis |
| P-854721431 | 95 | As is | in stock |
| P-1274999706 | 95 | As is | in stock |
| P-878644387 | 98 | As is | in stock |
| P-906892353 | 98 | As is | by synthesis |
| P-875699530 | 98 | Main component | in stock |
| P-903023164 | 95 | Main component | 500 mg |
| P-875894895 | 95 | Main component | in stock |
| P-619605640 | 95 | Main component | 343 mg |
| P-851239462 | 95 | Main component | by synthesis |
| P-887194391 | 95 | Main component | by synthesis |
| P-579480545 | 95 | Main component | in stock |
| P-852489961 | 97 | Main component | by synthesis |
| P-905144088 | 95 | Main component | in stock |
| P-906840317 | 98 | Main component | by synthesis |
| P-904640112 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 586.647 |
| logP | 4.5312 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 13 |
| PSA | 125.84 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 160.9501 |
| Atoms | 81 |
| Rings | 3 |
| Heavy atoms | 42 |
| Hydrogen atoms | 39 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
