MCULE-4617592643-0
- 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 | 83 USD | 90 | 17 working days | Get Quote |
| 5 mg | 99 USD | 90 | 17 working days | Get Quote |
| 10 mg | 110 USD | 90 | 17 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-8044502461-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4617592643-0.sdf |
| SMILES | MCULE-4617592643-0.smiles |
| Standard InChI | MCULE-4617592643-0.inchi |
| InChIKey | MCULE-4617592643-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867673072 | 95 | As is | in stock |
| P-875847267 | 95 | As is | in stock |
| P-903225635 | 95 | As is | 5 g |
| P-893515889 | 90 | As is | 33.641 g |
| P-1270281661 | 95 | As is | in stock |
| P-904025614 | N/A | As is | in stock |
| P-596999605 | 98 | As is | 5 g |
| P-1273466936 | 95 | As is | by resynthesis (? - ? days) |
| P-864136592 | 95 | As is | in stock |
| P-902968743 | 95 | As is | 3.099 g |
| P-901550617 | 95 | As is | by synthesis |
| P-861348584 | 95 | As is | by synthesis |
| P-862136643 | 98 | As is | 7.3 g |
| P-1267088456 | 95 | As is | 5.25 g |
| P-674299016 | 95 | As is | 189 mg |
| P-666783630 | 90 | As is | 189 mg |
| P-1272504828 | 95 | As is | in stock |
| P-904094199 | 97 | As is | 9 g |
| P-906889820 | 97 | As is | by synthesis |
| P-611581895 | 90 | As is | in stock |
| P-615645479 | 95 | As is | unavailable |
| P-615418313 | 95 | As is | in stock |
| P-886521768 | 97 | Main component | in stock |
| P-890139222 | 97 | Main component | in stock |
| P-869370658 | 95 | Main component | by resynthesis (? - ? days) |
| P-893515904 | 90 | Main component | 10 g |
| P-1270325081 | 95 | Main component | in stock |
| P-851835075 | N/A | Main component | by synthesis |
| P-596938396 | 97 | Main component | unavailable |
| P-864164739 | 95 | Main component | in stock |
| P-591158978 | 95 | Main component | by synthesis |
| P-861414653 | 95 | Main component | by synthesis |
| P-905351794 | 97 | Main component | 100 mg |
| P-890215319 | 90 | Main component | in stock |
| P-590337752 | 90 | Main component | 1000 mg |
| P-1263296422 | 96 | Main component | in stock |
| P-855924392 | 95 | Main component | 100 mg |
| P-579657693 | 95 | Main component | by resynthesis (? - ? days) |
| P-1274986425 | 95 | Main component | by synthesis |
| P-888898774 | N/A | Main component | in stock |
| P-859992942 | 95 | Main component | by synthesis |
| P-904094198 | 97 | Main component | 2.5 g |
| P-615402224 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 183.676 |
| logP | 3.1363 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.7054 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

