MCULE-4575886217
- 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 | 12 USD | 98 | 22 working days | Get Quote |
| 5 mg | 22 USD | 98 | 20 working days | Get Quote |
| 10 mg | 31 USD | 98 | 16 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.
-
MCULE-6072993604
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4575886217.sdf |
| SMILES | MCULE-4575886217.smiles |
| Standard InChI | MCULE-4575886217.inchi |
| InChIKey | MCULE-4575886217.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867607016 | 98 | As is | in stock |
| P-875765722 | N/A | As is | in stock |
| P-595214890 | 99 | As is | in stock |
| P-903103195 | 98 | As is | 500 mg |
| P-1264048069 | 95 | As is | in stock |
| P-893509263 | 90 | As is | 6.816 g |
| P-878260841 | N/A | As is | in stock |
| P-489172324 | 97 | As is | in stock |
| P-865913624 | 98 | As is | 500 mg |
| P-872722943 | 98 | As is | in stock |
| P-889781356 | 95 | As is | in stock |
| P-878234602 | 98 | As is | 1.284 g |
| P-901543604 | 95 | As is | by synthesis |
| P-860798462 | 98 | As is | in stock |
| P-887188390 | 95 | As is | by synthesis |
| P-608498012 | 95 | As is | in stock |
| P-855914307 | 97 | As is | 10 mg |
| P-1263156165 | 95 | As is | by synthesis |
| P-854712623 | 95 | As is | in stock |
| P-619672119 | 98 | As is | in stock |
| P-867629103 | 98 | As a main component | in stock |
| P-875792870 | N/A | As a main component | in stock |
| P-590359673 | 98 | As a main component | in stock |
| P-903143632 | 97 | As a main component | 1.25 g |
| P-1264047118 | 95 | As a main component | in stock |
| P-606856552 | N/A | As a main component | in stock |
| P-489229870 | 97 | As a main component | in stock |
| P-596966065 | 98 | As a main component | 1.25 g |
| P-895930469 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864150063 | 95 | As a main component | in stock |
| P-860056516 | 98 | As a main component | by synthesis |
| P-580713615 | 99 | As a main component | 250 mg |
| P-893260459 | 95 | As a main component | by synthesis |
| P-881633883 | 98 | As a main component | in stock |
| P-860798324 | 98 | As a main component | in stock |
| P-861368931 | 98 | As a main component | by synthesis |
| P-579479126 | 95 | As a main component | in stock |
| P-675216108 | 95 | As a main component | in stock |
| P-596580753 | 97 | As a main component | 100 mg |
| P-1263156159 | 95 | As a main component | by synthesis |
| P-854718565 | 95 | As a main component | in stock |
| P-474025949 | 95 | As a main component | in stock |
| P-589631494 | N/A | As a main component | in stock |
| P-579712330 | N/A | As a main component | in stock |
| P-611469344 | 90 | As a main component | in stock |
| P-893947965 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 295.335 |
| logP | 2.2544 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 65.2 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 88.8974 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

