MCULE-8063359085
- 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 | 3 USD | 98 | 14 working days | Get Quote |
| 5 mg | 3 USD | 98 | 14 working days | Get Quote |
| 10 mg | 3 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-8063359085.sdf |
| SMILES | MCULE-8063359085.smiles |
| Standard InChI | MCULE-8063359085.inchi |
| InChIKey | MCULE-8063359085.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867533590 | 98 | As is | in stock |
| P-875688041 | 98 | As is | in stock |
| P-597013571 | 98 | As is | unavailable |
| P-1275197784 | 98 | As is | in stock |
| P-1275146695 | 95 | As is | in stock |
| P-903008305 | 98 | As is | 100 g |
| P-905486057 | 95 | As is | 1000 g |
| P-610952724 | 90 | As is | 14.6127 kg |
| P-907307856 | 95 | As is | 57.59 g |
| P-901168299 | 98 | As is | in stock |
| P-1270398554 | 98 | As is | in stock |
| P-893333474 | 95 | As is | by synthesis |
| P-893301516 | 95 | As is | in stock |
| P-606898819 | N/A | As is | in stock |
| P-489181913 | 97 | As is | in stock |
| P-596925742 | 98 | As is | 926.62 g |
| P-494352155 | 95 | As is | 70 g |
| P-864099370 | 95 | As is | in stock |
| P-580707001 | 98 | As is | 1.33225 kg |
| P-492259227 | 95 | As is | in stock |
| P-851241846 | 95 | As is | by synthesis |
| P-861276646 | 95 | As is | in stock |
| P-868588888 | 98 | As is | in stock |
| P-861979695 | 97 | As is | 7.44238 kg |
| P-905335390 | 97 | As is | 801 g |
| P-888313967 | N/A | As is | in stock |
| P-505544048 | 95 | As is | in stock |
| P-500159368 | 96 | As is | in stock |
| P-524183892 | 98 | As is | 500 mg |
| P-855995949 | 98 | As is | 100 mg |
| P-580517349 | 95 | As is | in stock |
| P-1272577580 | 95 | As is | 20 g |
| P-852437415 | 95 | As is | by synthesis |
| P-904720943 | 90 | As is | in stock |
| P-854731223 | 95 | As is | in stock |
| P-888858635 | N/A | As is | in stock |
| P-885560701 | 95 | As is | by synthesis |
| P-873278756 | N/A | As is | in stock |
| P-851381201 | 97 | As is | 8.42146 kg |
| P-611423903 | 90 | As is | in stock |
| P-480947100 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 278.157 |
| logP | 1.8814 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 45.51 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 78.164 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 23 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |

