Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5352016808
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 | 30 USD | 98 | 14 working days | Get Quote |
| 5 mg | 56 USD | 98 | 22 working days | Get Quote |
| 10 mg | 107 USD | 98 | 22 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-7852339570
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5352016808.sdf |
| SMILES | MCULE-5352016808.smiles |
| Standard InChI | MCULE-5352016808.inchi |
| InChIKey | MCULE-5352016808.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875772685 | N/A | As is | in stock |
| P-903113427 | 98 | As is | 100 mg |
| P-875893835 | 98 | As is | in stock |
| P-890244341 | 98 | As is | 129 mg |
| P-887184125 | 95 | As is | by synthesis |
| P-579479148 | 95 | As is | in stock |
| P-854621777 | 98 | As is | in stock |
| P-854717532 | 95 | As is | in stock |
| P-584624914 | 95 | As is | in stock |
| P-888169205 | 98 | As is | by synthesis |
| P-906838520 | 98 | As is | by synthesis |
| P-890143691 | 98 | Main component | in stock |
| P-489136016 | 97 | Main component | in stock |
| P-489207218 | 97 | Main component | in stock |
| P-890224197 | 98 | Main component | by synthesis |
| P-851249207 | 95 | Main component | by synthesis |
| P-608495607 | 95 | Main component | in stock |
| P-852523010 | 95 | Main component | by synthesis |
| P-901016167 | 95 | Main component | in stock |
| P-474026283 | 95 | Main component | in stock |
| P-608277392 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 385.866 |
| logP | 3.579 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 100.02 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 96.5722 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 20 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
