MCULE-4437766402
- 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 | 89 USD | 90 | 17 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 103 USD | N/A | 17 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-4437766402.sdf |
| SMILES | MCULE-4437766402.smiles |
| Standard InChI | MCULE-4437766402.inchi |
| InChIKey | MCULE-4437766402.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886666754 | 95 | As is | in stock |
| P-901219507 | N/A | As is | by synthesis |
| P-869288366 | 95 | As is | in stock |
| P-903232378 | 95 | As is | 5 g |
| P-851391902 | N/A | As is | by synthesis |
| P-889836887 | 95 | As is | by synthesis |
| P-611007169 | 95 | As is | by synthesis |
| P-901543011 | 95 | As is | by synthesis |
| P-619926359 | 90 | As is | in stock |
| P-619340773 | 90 | As is | 495 mg |
| P-675049779 | 90 | As is | in stock |
| P-854854679 | 95 | As is | by synthesis |
| P-907164068 | 94 | As is | by resynthesis (? - ? days) |
| P-855225921 | 90 | As is | in stock |
| P-893825762 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 260.269 |
| logP | 0.7525 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 108.08 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.049 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 8 |
| 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 |

