MCULE-5619780055
- 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-5619780055.sdf |
| SMILES | MCULE-5619780055.smiles |
| Standard InChI | MCULE-5619780055.inchi |
| InChIKey | MCULE-5619780055.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886574532 | 95 | As is | in stock |
| P-890148746 | N/A | As is | in stock |
| P-612935980 | 95 | As is | in stock |
| P-903095627 | 95 | As is | 250 mg |
| P-893430687 | 90 | As is | by synthesis |
| P-851877422 | N/A | As is | by synthesis |
| P-596659669 | 95 | As is | 6.3 g |
| P-596521912 | 90 | As is | 1000 mg |
| P-595589328 | 90 | As is | 1000 mg |
| P-864234776 | 95 | As is | by synthesis |
| P-591152030 | 95 | As is | by synthesis |
| P-492256175 | 95 | As is | in stock |
| P-4151759 | 90 | As is | 20 mg |
| P-504734673 | 85 | As is | 5 mg |
| P-454756885 | 90 | As is | in stock |
| P-454701606 | 90 | As is | in stock |
| P-607762781 | 90 | As is | 28 mg |
| P-436449717 | 95 | As is | 15 g |
| P-19866647 | 90 | As is | in stock |
| P-887089952 | 95 | As is | in stock |
| P-34525986 | 90 | As is | in stock |
| P-580776602 | 90 | As is | by resynthesis (? - ? days) |
| P-580765980 | 90 | As is | in stock |
| P-890215742 | 90 | As is | in stock |
| P-590338175 | 90 | As is | 1000 mg |
| P-855994131 | 95 | As is | 99 mg |
| P-563525878 | 95 | As is | 1000 mg |
| P-580502760 | 95 | As is | by synthesis |
| P-852386360 | N/A | As is | in stock |
| P-854878991 | 95 | As is | by synthesis |
| P-491128975 | 95 | As is | by synthesis |
| P-23869461 | 90 | As is | in stock |
| P-502333305 | 90 | As is | in stock |
| P-22499914 | 90 | As is | 8 mg |
| P-611570764 | 90 | As is | in stock |
| P-1176197 | 90 | As is | 4.29 g |
| P-3234823 | 90 | As is | 4.29 g |
| P-886916193 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.094 |
| logP | 0.9764 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 30.5503 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 4 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

