Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2474398583
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 | 28 USD | 92 | 18 working days | Get Quote |
| 5 mg | 31 USD | 98 | 19 working days | Get Quote |
| 10 mg | 31 USD | 98 | 19 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.
-
MCULE-2461768801
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2474398583.sdf |
| SMILES | MCULE-2474398583.smiles |
| Standard InChI | MCULE-2474398583.inchi |
| InChIKey | MCULE-2474398583.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1264056899 | 99 | As is | in stock |
| P-901568289 | 95 | As is | by synthesis |
| P-901568290 | 95 | As is | by synthesis |
| P-855983985 | 97 | As is | 100 mg |
| P-896628003 | 95 | As is | by synthesis |
| P-872674061 | 95 | As is | in stock |
| P-885534656 | 95 | As is | by synthesis |
| P-906792397 | 98 | As is | by synthesis |
| P-611510200 | 90 | As is | in stock |
| P-1271605680 | 97 | As is | in stock |
| P-1275178748 | 98 | As a main component | in stock |
| P-1264046978 | 99 | As a main component | in stock |
| P-901430851 | 95 | As a main component | by synthesis |
| P-893230678 | 95 | As a main component | in stock |
| P-1272246136 | 90 | As a main component | 54 mg |
| P-580452152 | 98 | As a main component | in stock |
| P-608496625 | 95 | As a main component | in stock |
| P-864498978 | 90 | As a main component | in stock |
| P-608220430 | 98 | As a main component | in stock |
| P-870662001 | N/A | As a main component | in stock |
| P-505496489 | 95 | As a main component | in stock |
| P-870569447 | 90 | As a main component | in stock |
| P-1273108660 | 98 | As a main component | 100 mg |
| P-896627248 | 95 | As a main component | by synthesis |
| P-608269853 | 98 | As a main component | in stock |
| P-674830552 | 90 | As a main component | 500 mg |
| P-13803933 | 92 | As a main component | 300 mg |
| P-885534655 | 95 | As a main component | by synthesis |
| P-675131285 | 90 | As a main component | in stock |
| P-579710086 | 98 | As a main component | in stock |
| P-1272909321 | 94 | As a main component | by resynthesis (? - ? days) |
| P-906757690 | 98 | As a main component | by synthesis |
| P-611462051 | 90 | As a main component | in stock |
| P-617792869 | 90 | As a main component | 121 mg |
| P-886945483 | 95 | As a main component | by synthesis |
| P-666971749 | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 312.409 |
| logP | 2.6472 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 50.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 95.0302 |
| Atoms | 47 |
| Rings | 4 |
| Heavy atoms | 23 |
| Hydrogen atoms | 24 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
