MCULE-3878563080
- 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 | 13 USD | 98 | 14 working days | Get Quote |
| 5 mg | 13 USD | 98 | 14 working days | Get Quote |
| 10 mg | 13 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-8589076631
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3878563080.sdf |
| SMILES | MCULE-3878563080.smiles |
| Standard InChI | MCULE-3878563080.inchi |
| InChIKey | MCULE-3878563080.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852096677 | 98 | As is | by synthesis |
| P-901196801 | N/A | As is | by synthesis |
| P-864263587 | 95 | As is | by synthesis |
| P-500413828 | 95 | As is | by synthesis |
| P-454726071 | 90 | As is | in stock |
| P-425134609 | 90 | As is | in stock |
| P-861523539 | 95 | As is | by synthesis |
| P-580759882 | 90 | As is | by synthesis |
| P-870652954 | N/A | As is | in stock |
| P-505509689 | 95 | As is | in stock |
| P-852531404 | N/A | As is | in stock |
| P-899988207 | 95 | As is | by synthesis |
| P-555283202 | 95 | As is | by synthesis |
| P-873223433 | 90 | As is | in stock |
| P-899593694 | 90 | As is | 39 mg |
| P-611418059 | 90 | As is | in stock |
| P-855230113 | 90 | As is | in stock |
| P-892942167 | N/A | As a main component | by synthesis |
| P-867653764 | 98 | As a main component | in stock |
| P-875821877 | N/A | As a main component | in stock |
| P-869185479 | 95 | As a main component | in stock |
| P-505354079 | 98 | As a main component | in stock |
| P-505388962 | 98 | As a main component | in stock |
| P-903184166 | 98 | As a main component | 300 g |
| P-489161745 | 97 | As a main component | in stock |
| P-597006208 | 98 | As a main component | 113 g |
| P-896024127 | 95 | As a main component | in stock |
| P-872868191 | 100 | As a main component | in stock |
| P-900268853 | N/A | As a main component | by resynthesis (? - ? days) |
| P-893219453 | 95 | As a main component | in stock |
| P-893237248 | 95 | As a main component | in stock |
| P-505575616 | 98 | As a main component | in stock |
| P-851274306 | 95 | As a main component | by synthesis |
| P-580450479 | 98 | As a main component | in stock |
| P-868578626 | 98 | As a main component | in stock |
| P-608498537 | 95 | As a main component | in stock |
| P-870662576 | 98 | As a main component | in stock |
| P-505517521 | 95 | As a main component | in stock |
| P-488555462 | 92 | As a main component | in stock |
| P-524163833 | 97 | As a main component | 5 g |
| P-902990622 | 95 | As a main component | by synthesis |
| P-899992585 | 95 | As a main component | in stock |
| P-474026834 | 95 | As a main component | in stock |
| P-608278120 | 98 | As a main component | in stock |
| P-13832423 | 92 | As a main component | 300 mg |
| P-500375528 | 98 | As a main component | by synthesis |
| P-1263958665 | 90 | As a main component | in stock |
| P-579711010 | N/A | As a main component | in stock |
| P-873222262 | 90 | As a main component | in stock |
| P-906780852 | 98 | As a main component | by synthesis |
| P-611418021 | 90 | As a main component | in stock |
| P-611460861 | 90 | As a main component | in stock |
| P-666966887 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.366 |
| logP | 2.6342 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 86.81 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 72.8692 |
| Atoms | 38 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 20 |
| 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 |

