MCULE-6498328032
- 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-6498328032.sdf |
| SMILES | MCULE-6498328032.smiles |
| Standard InChI | MCULE-6498328032.inchi |
| InChIKey | MCULE-6498328032.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852113954 | 95 | As is | by synthesis |
| P-889939169 | N/A | As is | by synthesis |
| P-894637660 | 95 | As is | in stock |
| P-851604450 | N/A | As is | by synthesis |
| P-901350515 | 95 | As is | by synthesis |
| P-590936440 | 95 | As is | by synthesis |
| P-3882649 | 90 | As is | 50 mg |
| P-454619480 | 90 | As is | in stock |
| P-436452681 | 95 | As is | 10 g |
| P-34892622 | 90 | As is | in stock |
| P-861525919 | 95 | As is | by synthesis |
| P-855971708 | 95 | As is | 10 g |
| P-852406684 | N/A | As is | in stock |
| P-854929744 | 95 | As is | by synthesis |
| P-873219728 | 90 | As is | in stock |
| P-888577542 | 94 | As is | by resynthesis (? - ? days) |
| P-855303240 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 255.400 |
| logP | 1.6476 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 35.58 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 80.0067 |
| Atoms | 47 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 29 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

