MCULE-2047028414
- 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 | 16 working days | Get Quote |
| 5 mg | 29 USD | 98 | 15 working days | Get Quote |
| 10 mg | 41 USD | 98 | 15 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.
| Name | File |
|---|---|
| SDF | MCULE-2047028414.sdf |
| SMILES | MCULE-2047028414.smiles |
| Standard InChI | MCULE-2047028414.inchi |
| InChIKey | MCULE-2047028414.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867535503 | 95 | As is | in stock |
| P-875689481 | N/A | As is | in stock |
| P-505346958 | 98 | As is | in stock |
| P-903010965 | 98 | As is | 1.25 g |
| P-1264052034 | 95 | As is | in stock |
| P-888934571 | N/A | As is | in stock |
| P-489155367 | 97 | As is | in stock |
| P-596935826 | 98 | As is | 500 mg |
| P-889772513 | 95 | As is | in stock |
| P-580723435 | 98 | As is | 1.484 g |
| P-901462174 | 95 | As is | by synthesis |
| P-851283096 | 95 | As is | by synthesis |
| P-887134209 | 97 | As is | by synthesis |
| P-579480759 | 95 | As is | in stock |
| P-868079290 | 95 | As is | in stock |
| P-596583597 | 97 | As is | 50 mg |
| P-1263153954 | 95 | As is | by synthesis |
| P-854713393 | 95 | As is | in stock |
| P-584623768 | 95 | As is | in stock |
| P-608278326 | 98 | As is | in stock |
| P-617401716 | N/A | As is | in stock |
| P-869160946 | 95 | As is | by synthesis |
| P-892294950 | 95 | As is | unavailable |
| P-888656173 | 95 | As is | 47 mg |
| P-899593670 | 90 | As is | 20 mg |
| P-893889134 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 455.432 |
| logP | 5.4049 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 80.24 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 119.5837 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 20 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| 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 |

