MCULE-2848770306
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-2848770306.sdf |
| SMILES | MCULE-2848770306.smiles |
| Standard InChI | MCULE-2848770306.inchi |
| InChIKey | MCULE-2848770306.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867664506 | 98 | As is | in stock |
| P-875833339 | 97 | As is | in stock |
| P-1275144974 | 95 | As is | in stock |
| P-1275190350 | 98 | As is | in stock |
| P-903209209 | 98 | As is | 1.5 kg |
| P-851942234 | N/A | As is | in stock |
| P-489172366 | 97 | As is | in stock |
| P-596985928 | 98 | As is | 700 g |
| P-1273339015 | 95 | As is | by resynthesis (? - ? days) |
| P-889578821 | 95 | As is | in stock |
| P-893221970 | 95 | As is | in stock |
| P-34859137 | 90 | As is | in stock |
| P-868626695 | 97 | As is | in stock |
| P-862113483 | 97 | As is | 25.275 kg |
| P-870662733 | 98 | As is | in stock |
| P-855983894 | 97 | As is | 250 g |
| P-31249861 | 90 | As is | unavailable |
| P-856045411 | 90 | As is | unavailable |
| P-1279072865 | N/A | As is | by synthesis |
| P-1279667193 | N/A | As is | in stock |
| P-901839394 | 95 | As is | in stock |
| P-885516523 | 95 | As is | by synthesis |
| P-890842718 | 95 | As is | in stock |
| P-502367160 | 90 | As is | in stock |
| P-888438664 | 94 | As is | by resynthesis (? - ? days) |
| P-1279252232 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 263.290 |
| logP | 3.8707 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 80.1852 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

