Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5522134095
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 98 | 20 working days | Get Quote |
| 5 mg | 36 USD | 98 | 20 working days | Get Quote |
| 10 mg | 36 USD | 98 | 20 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-5882026231
- Component type: Main
-
MCULE-4236197689
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5522134095.sdf |
| SMILES | MCULE-5522134095.smiles |
| Standard InChI | MCULE-5522134095.inchi |
| InChIKey | MCULE-5522134095.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867536285 | 98 | As is | in stock |
| P-1266225363 | 98 | As is | in stock |
| P-875691672 | 97 | As is | in stock |
| P-1265922824 | 98 | As is | in stock |
| P-869357333 | 95 | As is | by resynthesis (? - ? days) |
| P-903012050 | 97 | As is | 25 g |
| P-1264708579 | 98 | As is | 200 mg |
| P-610962830 | 90 | As is | 67.65 g |
| P-1270299038 | 97 | As is | in stock |
| P-606884656 | N/A | As is | in stock |
| P-489141595 | 97 | As is | in stock |
| P-596977546 | 98 | As is | 25 g |
| P-1272003539 | 98 | As is | 200 mg |
| P-864114395 | 95 | As is | in stock |
| P-851272794 | 95 | As is | by synthesis |
| P-868621522 | 98 | As is | in stock |
| P-862048569 | 98 | As is | 17.4 g |
| P-524197645 | 95 | As is | 100 mg |
| P-855953947 | 97 | As is | 250 mg |
| P-596581418 | 95 | As is | 250 mg |
| P-563641009 | 95 | As is | 250 mg |
| P-563486460 | 95 | As is | 250 mg |
| P-608112081 | 95 | As is | in stock |
| P-580494505 | N/A | As is | by synthesis |
| P-1272603240 | N/A | As is | 25 g |
| P-852606603 | N/A | As is | by synthesis |
| P-854752336 | 95 | As is | in stock |
| P-888906207 | N/A | As is | in stock |
| P-613807362 | 95 | As is | in stock |
| P-596755082 | 95 | As is | 15 g |
| P-611440397 | 90 | As is | in stock |
| P-1271698137 | 97 | As is | in stock |
| P-867291319 | 95 | As a main component | by synthesis |
| P-894678854 | 95 | As a main component | by resynthesis (? - ? days) |
| P-851518985 | N/A | As a main component | by synthesis |
| P-851670016 | N/A | As a main component | by synthesis |
| P-864261924 | 95 | As a main component | by synthesis |
| P-666947379 | 95 | As a main component | by synthesis |
| P-590788426 | 97 | As a main component | by synthesis |
| P-861513413 | 95 | As a main component | by synthesis |
| P-870640971 | 95 | As a main component | 100 mg |
| P-854819161 | 95 | As a main component | by synthesis |
| P-596748447 | 95 | As a main component | 0 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.305 |
| logP | 2.3713 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 50.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 64.1074 |
| Atoms | 37 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
