Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4148554186
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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 28 USD | N/A | 6 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-7558420643
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4148554186.sdf |
| SMILES | MCULE-4148554186.smiles |
| Standard InChI | MCULE-4148554186.inchi |
| InChIKey | MCULE-4148554186.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580192953 | 98 | As is | in stock |
| P-1264056891 | 95 | As is | in stock |
| P-893362560 | 90 | As is | by synthesis |
| P-489169887 | 97 | As is | in stock |
| P-868544734 | 99 | As is | in stock |
| P-893219412 | 95 | As is | in stock |
| P-893236724 | 95 | As is | in stock |
| P-851280904 | 95 | As is | by synthesis |
| P-579480497 | 95 | As is | in stock |
| P-500228718 | N/A | As is | in stock |
| P-608220811 | 98 | As is | in stock |
| P-505521297 | 95 | As is | in stock |
| P-524440078 | 97 | As is | 2.397 g |
| P-878643337 | 98 | As is | in stock |
| P-500410175 | 98 | As is | by synthesis |
| P-579712074 | 98 | As is | in stock |
| P-854965768 | 90 | As is | in stock |
| P-580195640 | 98 | Main component | in stock |
| P-610894411 | 90 | Main component | by synthesis |
| P-868544002 | 99 | Main component | in stock |
| P-901489865 | 95 | Main component | by synthesis |
| P-893222206 | 95 | Main component | in stock |
| P-851283726 | 95 | Main component | by synthesis |
| P-860797952 | 98 | Main component | in stock |
| P-579478521 | 95 | Main component | in stock |
| P-500418026 | 98 | Main component | in stock |
| P-505503739 | 95 | Main component | in stock |
| P-524440286 | 97 | Main component | 46 mg |
| P-860796903 | N/A | Main component | in stock |
| P-608272214 | 98 | Main component | in stock |
| P-500406159 | 98 | Main component | by synthesis |
| P-885535452 | 95 | Main component | by synthesis |
| P-854962505 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 376.250 |
| logP | 5.9196 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 76.38 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 99.1208 |
| Atoms | 44 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 20 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
