MCULE-1615765456-0
- 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 | 12 USD | 97 | 20 working days | Get Quote |
| 5 mg | 12 USD | 97 | 20 working days | Get Quote |
| 10 mg | 12 USD | 97 | 20 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-1615765456-0.sdf |
| SMILES | MCULE-1615765456-0.smiles |
| Standard InChI | MCULE-1615765456-0.inchi |
| InChIKey | MCULE-1615765456-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867589264 | 98 | As is | in stock |
| P-875748616 | N/A | As is | in stock |
| P-881671983 | 95 | As is | in stock |
| P-903079605 | 97 | As is | 400 g |
| P-606946319 | N/A | As is | in stock |
| P-596984511 | 97 | As is | 400 g |
| P-869391791 | 95 | As is | in stock |
| P-889740876 | 95 | As is | 20 g |
| P-851284998 | 95 | As is | by synthesis |
| P-868598108 | 96 | As is | in stock |
| P-905317528 | 97 | As is | in stock |
| P-596564104 | 97 | As is | 100 g |
| P-852597829 | N/A | As is | in stock |
| P-593028631 | 95 | As is | by synthesis |
| P-885547192 | 95 | As is | by synthesis |
| P-906750559 | 98 | As is | by synthesis |
| P-611375903 | 90 | As is | in stock |
| P-615404914 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 139.109 |
| logP | 0.8133 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 62.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 34.5633 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| 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 |

