MCULE-5289074822-0
- 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 | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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.
-
MCULE-8008643060-0
- Component type: Main
-
MCULE-5997155650-0
- Component type: Main
-
MCULE-8103482656-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5289074822-0.sdf |
| SMILES | MCULE-5289074822-0.smiles |
| Standard InChI | MCULE-5289074822-0.inchi |
| InChIKey | MCULE-5289074822-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275181856 | 99 | As is | in stock |
| P-1275153957 | 95 | As is | in stock |
| P-1275174548 | 98 | As is | in stock |
| P-905482639 | 97 | As is | 100 g |
| P-856053677 | 95 | As is | by synthesis |
| P-617061027 | 97 | As is | in stock |
| P-864184700 | 95 | As is | in stock |
| P-851255603 | 95 | As is | by synthesis |
| P-868579207 | 97 | As is | in stock |
| P-861985882 | 98 | As is | 300 g |
| P-579625937 | 97 | As is | in stock |
| P-580476974 | N/A | As is | by synthesis |
| P-852400190 | 98 | As is | by synthesis |
| P-1263696832 | 95 | As is | by synthesis |
| P-881191853 | 90 | As is | 50 mg |
| P-500404003 | 98 | As is | by synthesis |
| P-1263958872 | 90 | As is | in stock |
| P-896074857 | N/A | As is | 3.145 g |
| P-502329644 | 90 | As is | in stock |
| P-906757814 | 97 | As is | by synthesis |
| P-611432979 | 90 | As is | in stock |
| P-480849 | 90 | As is | 4 mg |
| P-3243489 | 90 | As is | 4 mg |
| P-666968277 | 95 | As is | in stock |
| P-867581363 | 98 | As a main component | in stock |
| P-875740155 | 98 | As a main component | in stock |
| P-869324690 | 98 | As a main component | by resynthesis (? - ? days) |
| P-903070255 | 98 | As a main component | 500 g |
| P-606863136 | N/A | As a main component | in stock |
| P-596952609 | 98 | As a main component | 100 g |
| P-494419816 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864138241 | 95 | As a main component | in stock |
| P-590636374 | 98 | As a main component | 130 g |
| P-868616350 | 98 | As a main component | in stock |
| P-862026985 | 98 | As a main component | 200 g |
| P-675494291 | 95 | As a main component | in stock |
| P-454398437 | 95 | As a main component | 892.06 g |
| P-454311305 | 95 | As a main component | 892.06 g |
| P-890332425 | 90 | As a main component | 316 mg |
| P-1272592858 | 95 | As a main component | 200 g |
| P-852490342 | 95 | As a main component | by synthesis |
| P-854766335 | 95 | As a main component | by synthesis |
| P-33253594 | 90 | As a main component | in stock |
| P-33702686 | 94 | As a main component | by resynthesis (? - ? days) |
| P-1272896109 | 94 | As a main component | by resynthesis (? - ? days) |
| P-906863824 | 98 | As a main component | by synthesis |
| P-611432980 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 124.141 |
| logP | 0.799 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 46.01 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 33.987 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 8 |
| 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 |

