MCULE-2892560194
- 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 | 36 USD | 95 | 10 working days | Get Quote |
| 5 mg | 36 USD | 95 | 10 working days | Get Quote |
| 10 mg | 36 USD | 95 | 10 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-5328335524
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2892560194.sdf |
| SMILES | MCULE-2892560194.smiles |
| Standard InChI | MCULE-2892560194.inchi |
| InChIKey | MCULE-2892560194.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872835676 | 95 | As is | in stock |
| P-875844973 | N/A | As is | in stock |
| P-869345246 | 95 | As is | in stock |
| P-903215444 | 95 | As is | 500 mg |
| P-851867744 | N/A | As is | by synthesis |
| P-868832215 | 95 | As is | unavailable |
| P-864252922 | 95 | As is | by synthesis |
| P-901445781 | 95 | As is | by synthesis |
| P-861346518 | 95 | As is | by synthesis |
| P-864067363 | 95 | As is | by synthesis |
| P-611451361 | 90 | As is | in stock |
| P-886892483 | 95 | As is | in stock |
| P-867653898 | 95 | As a main component | in stock |
| P-875821397 | N/A | As a main component | in stock |
| P-590357005 | 95 | As a main component | in stock |
| P-851602827 | N/A | As a main component | by synthesis |
| P-591000940 | 95 | As a main component | by synthesis |
| P-616226598 | 95 | As a main component | in stock |
| P-4147018 | 90 | As a main component | 100 mg |
| P-868569840 | 95 | As a main component | in stock |
| P-855949407 | 95 | As a main component | 5 g |
| P-852417526 | N/A | As a main component | in stock |
| P-854907748 | 95 | As a main component | by synthesis |
| P-675100832 | 90 | As a main component | in stock |
| P-502385448 | 90 | As a main component | in stock |
| P-611602976 | 90 | As a main component | in stock |
| P-893677917 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.258 |
| logP | 3.1954 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.0284 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 17 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

