MCULE-1588784043
- 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.
-
MCULE-4290536828
- Component type: Main
-
MCULE-3838880750
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1588784043.sdf |
| SMILES | MCULE-1588784043.smiles |
| Standard InChI | MCULE-1588784043.inchi |
| InChIKey | MCULE-1588784043.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578469 | 98 | As is | in stock |
| P-875737934 | 96 | As is | in stock |
| P-1275193833 | 98 | As is | in stock |
| P-1275149304 | 95 | As is | in stock |
| P-903067992 | 98 | As is | 300 g |
| P-893503474 | 90 | As is | 2.0702 kg |
| P-907307347 | 95 | As is | 25.7 g |
| P-1270299657 | 98 | As is | in stock |
| P-580240903 | 95 | As is | by synthesis |
| P-606912233 | N/A | As is | in stock |
| P-489147851 | 97 | As is | in stock |
| P-596951732 | 96 | As is | 300 g |
| P-494347388 | 95 | As is | 17.99 g |
| P-864111063 | 95 | As is | in stock |
| P-481168209 | 95 | As is | 94 g |
| P-580720088 | 98 | As is | 1000 mg |
| P-454644911 | 90 | As is | in stock |
| P-851244981 | 95 | As is | by synthesis |
| P-861276029 | 95 | As is | in stock |
| P-868579018 | 96 | As is | in stock |
| P-580414691 | 95 | As is | by resynthesis (? - ? days) |
| P-861982481 | 98 | As is | 1.07625 kg |
| P-905335655 | 98 | As is | 16 g |
| P-588281420 | 98 | As is | in stock |
| P-890213966 | 90 | As is | in stock |
| P-590336388 | 90 | As is | 1000 mg |
| P-505519924 | 95 | As is | in stock |
| P-502509002 | 95 | As is | by synthesis |
| P-454399239 | 95 | As is | 289 mg |
| P-454312840 | 95 | As is | 289 mg |
| P-579635876 | 95 | As is | by resynthesis (? - ? days) |
| P-467911577 | 95 | As is | by synthesis |
| P-580483690 | N/A | As is | by synthesis |
| P-852450565 | 97 | As is | by synthesis |
| P-519763450 | 97 | As is | in stock |
| P-428112705 | 97 | As is | in stock |
| P-854725542 | 95 | As is | in stock |
| P-12415887 | 90 | As is | 99 mg |
| P-859992039 | 95 | As is | by synthesis |
| P-1274331683 | 95 | As is | unavailable |
| P-1274340250 | 95 | As is | 5.066 g |
| P-1274352152 | 95 | As is | 5.066 g |
| P-502360499 | 90 | As is | in stock |
| P-906764877 | 98 | As is | by synthesis |
| P-611559119 | 90 | As is | in stock |
| P-1271600268 | 97 | As is | in stock |
| P-860610441 | 98 | As a main component | by synthesis |
| P-860618182 | 97 | As a main component | by synthesis |
| P-1264913673 | 98 | As a main component | by synthesis |
| P-889953899 | 97 | As a main component | by synthesis |
| P-590371741 | 95 | As a main component | by resynthesis (? - ? days) |
| P-903217479 | 97 | As a main component | 25 g |
| P-1264546745 | 98 | As a main component | 1000 mg |
| P-1275542161 | 90 | As a main component | by synthesis |
| P-851432143 | N/A | As a main component | by synthesis |
| P-851433326 | N/A | As a main component | by synthesis |
| P-873298005 | 97 | As a main component | unavailable |
| P-1271934921 | 98 | As a main component | 1000 mg |
| P-1274820530 | 95 | As a main component | by resynthesis (? - ? days) |
| P-896029260 | 95 | As a main component | in stock |
| P-864092125 | 95 | As a main component | in stock |
| P-590785064 | 95 | As a main component | by synthesis |
| P-590873477 | 95 | As a main component | by synthesis |
| P-861434024 | 95 | As a main component | by synthesis |
| P-861997785 | 97 | As a main component | 25 g |
| P-563537425 | 95 | As a main component | 5 g |
| P-864079502 | 95 | As a main component | by synthesis |
| P-854809616 | 95 | As a main component | by synthesis |
| P-611476140 | 90 | As a main component | in stock |
| P-1271468367 | 95 | As a main component | by synthesis |
| P-886897709 | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 122.168 |
| logP | 1.1919 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 24.92 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 36.8117 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

