MCULE-5627912110
- 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 | 99 | 14 working days | Get Quote |
| 5 mg | 7 USD | 99 | 14 working days | Get Quote |
| 10 mg | 7 USD | 99 | 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-5627912110.sdf |
| SMILES | MCULE-5627912110.smiles |
| Standard InChI | MCULE-5627912110.inchi |
| InChIKey | MCULE-5627912110.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867562899 | 97 | As is | in stock |
| P-875722442 | N/A | As is | in stock |
| P-890252524 | 97 | As is | by synthesis |
| P-590417977 | 97 | As is | in stock |
| P-903051949 | 99 | As is | 25 g |
| P-893534183 | 90 | As is | 45.9 g |
| P-866097499 | 95 | As is | 10 g |
| P-580261742 | 95 | As is | by synthesis |
| P-606952126 | N/A | As is | in stock |
| P-489167524 | 97 | As is | in stock |
| P-596945852 | 97 | As is | 15 g |
| P-494396273 | 95 | As is | by resynthesis (? - ? days) |
| P-596400156 | 90 | As is | 1000 mg |
| P-864089811 | 97 | As is | in stock |
| P-580720615 | 97 | As is | 31.35 g |
| P-454730287 | 90 | As is | in stock |
| P-436472486 | 95 | As is | in stock |
| P-34860809 | 90 | As is | in stock |
| P-851248907 | 95 | As is | by synthesis |
| P-870586919 | 97 | As is | in stock |
| P-580401725 | 95 | As is | by resynthesis (? - ? days) |
| P-861962957 | 98 | As is | 1000 mg |
| P-505523313 | 95 | As is | in stock |
| P-502449936 | 95 | As is | by synthesis |
| P-502981529 | 90 | As is | in stock |
| P-492218142 | 95 | As is | in stock |
| P-488547023 | 90 | As is | in stock |
| P-13541073 | 95 | As is | 300 mg |
| P-18816587 | 90 | As is | unavailable |
| P-454397820 | 90 | As is | unavailable |
| P-579637841 | 95 | As is | by resynthesis (? - ? days) |
| P-601074708 | 90 | As is | 170 mg |
| P-467970089 | 95 | As is | 170 mg |
| P-852386198 | N/A | As is | in stock |
| P-854731944 | 95 | As is | in stock |
| P-12634083 | 90 | As is | 254 mg |
| P-454366758 | 92 | As is | in stock |
| P-885523431 | 95 | As is | by synthesis |
| P-19583364 | 90 | As is | in stock |
| P-873283418 | N/A | As is | in stock |
| P-896073682 | N/A | As is | 10.331 g |
| P-596758827 | 97 | As is | 12.7 g |
| P-22948822 | 90 | As is | in stock |
| P-502334285 | 90 | As is | in stock |
| P-888433368 | 94 | As is | by resynthesis (? - ? days) |
| P-611438817 | 90 | As is | in stock |
| P-2243633 | 90 | As is | 1.012 g |
| P-3226686 | 90 | As is | 1.012 g |
| P-893640355 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.616 |
| logP | 2.5916 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 25.78 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.514 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

