MCULE-5477743273-1
- 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 | 7 USD | 97 | 20 working days | Get Quote |
| 5 mg | 7 USD | 97 | 20 working days | Get Quote |
| 10 mg | 7 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-5477743273-1.sdf |
| SMILES | MCULE-5477743273-1.smiles |
| Standard InChI | MCULE-5477743273-1.inchi |
| InChIKey | MCULE-5477743273-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-505397801 | 95 | As is | in stock |
| P-610971827 | 90 | As is | 104.011 g |
| P-580240272 | 95 | As is | by synthesis |
| P-893301451 | N/A | As is | in stock |
| P-606871108 | N/A | As is | in stock |
| P-596950433 | 97 | As is | 75 g |
| P-596659986 | 95 | As is | 7 g |
| P-864085466 | 97 | As is | in stock |
| P-580713155 | 97 | As is | 41.35 g |
| P-851247850 | 95 | As is | by synthesis |
| P-861268882 | 95 | As is | in stock |
| P-868640821 | 98 | As is | in stock |
| P-905317094 | 95 | As is | in stock |
| P-505545135 | 95 | As is | in stock |
| P-500155320 | 96 | As is | in stock |
| P-855995566 | 97 | As is | 100 mg |
| P-524180741 | 97 | As is | 5 g |
| P-580490065 | N/A | As is | by synthesis |
| P-852503413 | N/A | As is | in stock |
| P-854732342 | 95 | As is | in stock |
| P-888859159 | N/A | As is | in stock |
| P-500407153 | 95 | As is | by synthesis |
| P-889874848 | 95 | As is | by synthesis |
| P-579704770 | N/A | As is | in stock |
| P-596776688 | 90 | As is | 82.7 g |
| P-906875763 | 97 | As is | by synthesis |
| P-611561461 | 90 | As is | in stock |
| P-615434593 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 134.135 |
| logP | 1.2685 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 48.91 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 38.1167 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

