Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4055732822
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 | 84 USD | 98 | 20 working days | Get Quote |
| 5 mg | 84 USD | 98 | 20 working days | Get Quote |
| 10 mg | 84 USD | 98 | 20 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.
-
MCULE-7595346141
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4055732822.sdf |
| SMILES | MCULE-4055732822.smiles |
| Standard InChI | MCULE-4055732822.inchi |
| InChIKey | MCULE-4055732822.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553541 | 95 | As is | in stock |
| P-875712054 | N/A | As is | in stock |
| P-590397975 | 97 | As is | in stock |
| P-903038425 | 98 | As is | 40 g |
| P-893556281 | 90 | As is | 121.146 g |
| P-851715801 | N/A | As is | by synthesis |
| P-596991731 | 98 | As is | 40 g |
| P-494415652 | 95 | As is | by resynthesis (? - ? days) |
| P-864143523 | 95 | As is | in stock |
| P-590905666 | 95 | As is | by synthesis |
| P-861446875 | 95 | As is | by synthesis |
| P-862110600 | 97 | As is | 40.046 g |
| P-502452923 | 95 | As is | by synthesis |
| P-579456822 | 97 | As is | 5 g |
| P-860794494 | N/A | As is | by synthesis |
| P-852490542 | N/A | As is | in stock |
| P-895240825 | 95 | As is | by synthesis |
| P-596739404 | 95 | As is | 55.67 g |
| P-611608592 | 90 | As is | in stock |
| P-615420110 | 95 | As is | in stock |
| P-886685121 | 95 | As a main component | in stock |
| P-889986675 | N/A | As a main component | by synthesis |
| P-894653125 | 95 | As a main component | in stock |
| P-903251995 | 95 | As a main component | 1000 mg |
| P-851649988 | N/A | As a main component | by synthesis |
| P-889798103 | 95 | As a main component | by synthesis |
| P-611096138 | 95 | As a main component | by synthesis |
| P-901477492 | 95 | As a main component | by synthesis |
| P-854874393 | 95 | As a main component | by synthesis |
| P-611550194 | 90 | As a main component | in stock |
| P-893844629 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.241 |
| logP | 2.3456 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 81.78 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 60.4037 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
