Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4751376350
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 | 22 USD | 98 | 15 working days | Get Quote |
| 5 mg | 53 USD | 98 | 15 working days | Get Quote |
| 10 mg | 84 USD | 98 | 15 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-3737492660
- Component type: Main
-
1
MCULE-1113222985
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4751376350.sdf |
| SMILES | MCULE-4751376350.smiles |
| Standard InChI | MCULE-4751376350.inchi |
| InChIKey | MCULE-4751376350.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-590758392 | 98 | As is | by synthesis |
| P-887187321 | 95 | As is | by synthesis |
| P-854716587 | 95 | As is | in stock |
| P-875696996 | 98 | Main component | in stock |
| P-1264053503 | 95 | Main component | in stock |
| P-613257654 | 98 | Main component | 242 mg |
| P-871212281 | 95 | Main component | by synthesis |
| P-887192954 | 95 | Main component | by synthesis |
| P-868659740 | 95 | Main component | in stock |
| P-854621084 | 98 | Main component | in stock |
| P-579628721 | 95 | Main component | in stock |
| P-895182769 | 95 | Main component | in stock |
| P-871072345 | 95 | Main component | in stock |
| P-590774002 | 98 | Main component as a main component | by synthesis |
| P-579480023 | 95 | Main component as a main component | in stock |
| P-854705171 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 565.747 |
| logP | 7.195 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 143.55 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 161.1896 |
| Atoms | 74 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 35 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
