Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3771363547-0
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 | 98 | 14 working days | Get Quote |
| 5 mg | 20 USD | 98 | 14 working days | Get Quote |
| 10 mg | 20 USD | 98 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5345819041-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3771363547-0.sdf |
| SMILES | MCULE-3771363547-0.smiles |
| Standard InChI | MCULE-3771363547-0.inchi |
| InChIKey | MCULE-3771363547-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851771003 | N/A | As is | by synthesis |
| P-611182890 | 95 | As is | by synthesis |
| P-856007869 | 95 | As is | 100 mg |
| P-855961487 | 97 | As is | 25 g |
| P-524194905 | 95 | As is | 25 g |
| P-895734456 | 95 | As is | by synthesis |
| P-33218318 | 90 | As is | in stock |
| P-888227631 | 90 | As is | 7 mg |
| P-621734033 | 90 | Main component | by synthesis |
| P-901269386 | N/A | Main component as a main component | in stock |
| P-595217146 | 98 | Main component as a main component | in stock |
| P-903137546 | 98 | Main component as a main component | 700 g |
| P-851858564 | N/A | Main component as a main component | by synthesis |
| P-489116586 | 97 | Main component as a main component | in stock |
| P-596995092 | 98 | Main component as a main component | 700 g |
| P-864115396 | 97 | Main component as a main component | in stock |
| P-591140880 | 97 | Main component as a main component | by synthesis |
| P-861500604 | 95 | Main component as a main component | by synthesis |
| P-870648133 | N/A | Main component as a main component | in stock |
| P-505510344 | 95 | Main component as a main component | in stock |
| P-524164240 | 98 | Main component as a main component | 500 g |
| P-524185835 | 95 | Main component as a main component | 100 g |
| P-31249812 | 90 | Main component as a main component | unavailable |
| P-854809098 | 95 | Main component as a main component | by synthesis |
| P-885539194 | 95 | Main component as a main component | by synthesis |
| P-520136577 | 90 | Main component as a main component | in stock |
| P-906761859 | 99 | Main component as a main component | by synthesis |
| P-906815332 | 98 | Main component as a main component | by synthesis |
| P-906761711 | 98 | Main component as a main component | by synthesis |
| P-611416618 | 90 | Main component as a main component | in stock |
| P-666976740 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 257.754 |
| logP | 3.6055 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.2074 |
| Atoms | 37 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
