MCULE-1633826256
- 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 | 90 | 26 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 26 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-1633826256.sdf |
| SMILES | MCULE-1633826256.smiles |
| Standard InChI | MCULE-1633826256.inchi |
| InChIKey | MCULE-1633826256.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867561012 | 95 | As is | in stock |
| P-901185604 | N/A | As is | by synthesis |
| P-869357169 | 96 | As is | in stock |
| P-903049883 | 95 | As is | 2.5 g |
| P-851494393 | N/A | As is | by synthesis |
| P-489240871 | 97 | As is | in stock |
| P-889801151 | 95 | As is | by synthesis |
| P-590877009 | 95 | As is | by synthesis |
| P-901453302 | 95 | As is | by synthesis |
| P-34875884 | 90 | As is | in stock |
| P-861475626 | 95 | As is | by synthesis |
| P-580423859 | 95 | As is | by resynthesis (? - ? days) |
| P-502820603 | 90 | As is | in stock |
| P-596592648 | 90 | As is | 1000 mg |
| P-588250581 | N/A | As is | by synthesis |
| P-852393085 | N/A | As is | in stock |
| P-864071032 | 95 | As is | by synthesis |
| P-34067524 | 90 | As is | 84 mg |
| P-885517340 | 95 | As is | by synthesis |
| P-424814814 | 90 | As is | in stock |
| P-22651546 | 90 | As is | in stock |
| P-502349537 | 90 | As is | in stock |
| P-888440638 | 94 | As is | by resynthesis (? - ? days) |
| P-611442507 | 90 | As is | in stock |
| P-464678708 | 90 | As is | 1.56 g |
| P-2606684 | 90 | As is | 1.56 g |
| P-886935523 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 192.257 |
| logP | 2.7692 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.2636 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

