MCULE-5157004603
- 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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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-5157004603.sdf |
| SMILES | MCULE-5157004603.smiles |
| Standard InChI | MCULE-5157004603.inchi |
| InChIKey | MCULE-5157004603.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867575652 | 97 | As is | in stock |
| P-875735695 | 98 | As is | in stock |
| P-1275152924 | 95 | As is | in stock |
| P-1275178637 | 98 | As is | in stock |
| P-903065664 | 97 | As is | 3 kg |
| P-901166402 | 98 | As is | in stock |
| P-1270306626 | 98 | As is | in stock |
| P-851925622 | N/A | As is | in stock |
| P-489118578 | 97 | As is | in stock |
| P-596975765 | 98 | As is | 9 kg |
| P-895920339 | 95 | As is | by resynthesis (? - ? days) |
| P-864163683 | 97 | As is | in stock |
| P-619600625 | 98 | As is | 700 g |
| P-454660979 | 90 | As is | in stock |
| P-448684448 | 90 | As is | 221 mg |
| P-436475061 | 95 | As is | in stock |
| P-425220777 | 90 | As is | in stock |
| P-868555146 | 98 | As is | in stock |
| P-34459736 | 90 | As is | by synthesis |
| P-580304129 | 95 | As is | by resynthesis (? - ? days) |
| P-1273118467 | 95 | As is | 100 g |
| P-862029384 | 95 | As is | 12.7997 kg |
| P-505492555 | 95 | As is | in stock |
| P-492228885 | 95 | As is | in stock |
| P-12387390 | 92 | As is | 24 mg |
| P-31247514 | 90 | As is | unavailable |
| P-588250102 | N/A | As is | by synthesis |
| P-1272594467 | 95 | As is | 3 kg |
| P-852496891 | 95 | As is | by synthesis |
| P-867943902 | 95 | As is | in stock |
| P-650692749 | 90 | As is | by synthesis |
| P-13388328 | 92 | As is | 24 mg |
| P-500405235 | 98 | As is | by synthesis |
| P-885525565 | 95 | As is | by synthesis |
| P-19450868 | 90 | As is | in stock |
| P-896073524 | N/A | As is | 33.113 g |
| P-502331785 | 90 | As is | in stock |
| P-22450295 | 90 | As is | 145 mg |
| P-906779510 | 97 | As is | by synthesis |
| P-611363810 | 90 | As is | in stock |
| P-1144793 | 90 | As is | 4.263 g |
| P-3234784 | 90 | As is | 4.263 g |
| P-893995695 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 295.916 |
| logP | 3.8064 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 71.84 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 55.0684 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 12 |
| 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 |

