MCULE-1816851949
- 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 | 15 USD | 98 | 22 working days | Get Quote |
| 5 mg | 34 USD | 98 | 20 working days | Get Quote |
| 10 mg | 54 USD | 98 | 22 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-1816851949.sdf |
| SMILES | MCULE-1816851949.smiles |
| Standard InChI | MCULE-1816851949.inchi |
| InChIKey | MCULE-1816851949.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867566036 | 98 | As is | in stock |
| P-875725809 | N/A | As is | in stock |
| P-590360044 | 98 | As is | in stock |
| P-903054860 | 99 | As is | 100 mg |
| P-1264046989 | 95 | As is | in stock |
| P-893520165 | 90 | As is | 6.327 g |
| P-606945903 | N/A | As is | in stock |
| P-489184204 | 97 | As is | in stock |
| P-596947126 | 98 | As is | 1.25 g |
| P-580195115 | 98 | As is | in stock |
| P-889550466 | 95 | As is | in stock |
| P-580721191 | 99 | As is | 1.3 g |
| P-851247336 | 95 | As is | by synthesis |
| P-860798046 | 98 | As is | in stock |
| P-861371569 | 95 | As is | by synthesis |
| P-579479292 | 95 | As is | in stock |
| P-675216970 | 95 | As is | in stock |
| P-596581501 | 97 | As is | 10 mg |
| P-852522431 | N/A | As is | in stock |
| P-854714190 | 95 | As is | in stock |
| P-584617253 | 95 | As is | in stock |
| P-608274988 | 98 | As is | in stock |
| P-579710255 | N/A | As is | in stock |
| P-873283560 | N/A | As is | in stock |
| P-869161873 | 95 | As is | by synthesis |
| P-892296734 | 95 | As is | unavailable |
| P-888657258 | 95 | As is | 75 mg |
| P-906800895 | 97 | As is | by synthesis |
| P-480840848 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 417.503 |
| logP | 4.2917 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 78.43 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 125.7184 |
| Atoms | 58 |
| Rings | 5 |
| Heavy atoms | 31 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |

