MCULE-6685786913-0
- 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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-6685786913-0.sdf |
| SMILES | MCULE-6685786913-0.smiles |
| Standard InChI | MCULE-6685786913-0.inchi |
| InChIKey | MCULE-6685786913-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867628667 | 95 | As is | in stock |
| P-875792064 | N/A | As is | in stock |
| P-615711404 | 95 | As is | in stock |
| P-851802881 | N/A | As is | by synthesis |
| P-901347906 | 95 | As is | by synthesis |
| P-590974703 | 95 | As is | by synthesis |
| P-492246925 | 95 | As is | in stock |
| P-454694803 | 90 | As is | in stock |
| P-436447559 | 95 | As is | 10 g |
| P-20009414 | 90 | As is | in stock |
| P-868636829 | 95 | As is | in stock |
| P-34792698 | 90 | As is | in stock |
| P-596590706 | 90 | As is | 5 g |
| P-852397833 | N/A | As is | in stock |
| P-854925245 | 95 | As is | by synthesis |
| P-885525739 | 95 | As is | by synthesis |
| P-23822861 | 90 | As is | in stock |
| P-873212709 | 90 | As is | in stock |
| P-22469851 | 90 | As is | 20 mg |
| P-855234662 | 90 | As is | in stock |
| P-1329408 | 90 | As is | 2.254 g |
| P-3235587 | 90 | As is | 2.254 g |
| P-893666741 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 289.394 |
| logP | 4.8786 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 80.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 84.8259 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

