MCULE-1020182383
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
-
1
MCULE-4951334858
- Component type: Main
-
2
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1020182383.sdf |
| SMILES | MCULE-1020182383.smiles |
| Standard InChI | MCULE-1020182383.inchi |
| InChIKey | MCULE-1020182383.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893112202 | N/A | As is | by synthesis |
| P-617648015 | 90 | As is | in stock |
| P-619331740 | 90 | As is | 1.329 g |
| P-617187433 | 90 | As is | in stock |
| P-24169790 | 95 | As is | 92 mg |
| P-856029233 | 90 | As is | 250 mg |
| P-895192608 | 95 | As is | by synthesis |
| P-13344088 | 92 | As is | 83 mg |
| P-675127650 | 90 | As is | in stock |
| P-869146959 | 95 | As is | by synthesis |
| P-888649088 | 95 | As is | unavailable |
| P-617790704 | 90 | As is | 22 mg |
| P-852178397 | N/A | Main component | by synthesis |
| P-596508440 | 90 | Main component | 758 mg |
| P-596275819 | 90 | Main component | 758 mg |
| P-33537227 | 94 | Main component | by resynthesis (? - ? days) |
| P-616236082 | 90 | Main component as a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 489.396 |
| logP | 2.3575 |
| H-bond acceptors | 11 |
| H-bond donors | 7 |
| Rotatable bonds | 6 |
| PSA | 203.3 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 124.0115 |
| Atoms | 61 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 29 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| 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 |

