Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3993533957
Compound
Show structures
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 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.
-
1
MCULE-3206518139
- Component type: Main
-
1
MCULE-5646000632
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3993533957.sdf |
| SMILES | MCULE-3993533957.smiles |
| Standard InChI | MCULE-3993533957.inchi |
| InChIKey | MCULE-3993533957.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867484922 | N/A | As is | by synthesis |
| P-1264927652 | N/A | As is | by synthesis |
| P-869144050 | 95 | As is | unavailable |
| P-888647948 | 95 | As is | unavailable |
| P-867567183 | N/A | Main component | in stock |
| P-1266243287 | 99 | Main component | in stock |
| P-875726597 | N/A | Main component | in stock |
| P-1265933925 | 99 | Main component | in stock |
| P-1275153227 | 98 | Main component | in stock |
| P-1275176379 | 99 | Main component | in stock |
| P-903055783 | 98 | Main component | 20 kg |
| P-580240022 | 95 | Main component | by synthesis |
| P-606869243 | N/A | Main component | in stock |
| P-489167958 | 97 | Main component | in stock |
| P-596929518 | 98 | Main component | 20 kg |
| P-1273455094 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273338692 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273283224 | 95 | Main component | by resynthesis (? - ? days) |
| P-1263787087 | 95 | Main component | in stock |
| P-889740057 | 95 | Main component | 500 g |
| P-580708182 | 98 | Main component | 3.605 kg |
| P-901546105 | 95 | Main component | by synthesis |
| P-874544902 | 90 | Main component | 47 mg |
| P-34910527 | 90 | Main component | in stock |
| P-868576629 | 98 | Main component | in stock |
| P-862002116 | 95 | Main component | 23.3517 kg |
| P-905339846 | 95 | Main component | 2.75 kg |
| P-500417741 | 98 | Main component | in stock |
| P-608220570 | 99 | Main component | in stock |
| P-870655431 | 98 | Main component | in stock |
| P-505493407 | 95 | Main component | in stock |
| P-502533022 | 95 | Main component | by synthesis |
| P-488544516 | 90 | Main component | in stock |
| P-13830192 | 92 | Main component | 300 mg |
| P-596602710 | 95 | Main component | 13.56 g |
| P-524442712 | 97 | Main component | 100 mg |
| P-579660164 | 95 | Main component | by resynthesis (? - ? days) |
| P-856042147 | 90 | Main component | unavailable |
| P-31246324 | 90 | Main component | unavailable |
| P-613281894 | 95 | Main component | by synthesis |
| P-580495983 | 97 | Main component | by synthesis |
| P-35289507 | 95 | Main component | in stock |
| P-854693100 | 95 | Main component | in stock |
| P-1264393034 | 95 | Main component | in stock |
| P-608280029 | 98 | Main component | in stock |
| P-619672605 | 98 | Main component | in stock |
| P-620221881 | 95 | Main component | 1000 mg |
| P-620054998 | 90 | Main component | 1000 mg |
| P-454364974 | 92 | Main component | in stock |
| P-14040873 | 92 | Main component | 300 mg |
| P-500406280 | 98 | Main component | by synthesis |
| P-885516598 | 95 | Main component | by synthesis |
| P-424929171 | 90 | Main component | in stock |
| P-896079921 | N/A | Main component | 740 mg |
| P-869177263 | 95 | Main component | in stock |
| P-594273741 | 95 | Main component | 1.001 g |
| P-892295350 | 95 | Main component | 1.001 g |
| P-892337753 | 95 | Main component | 1.001 g |
| P-502331919 | 90 | Main component | in stock |
| P-33163060 | 90 | Main component | 1000 mg |
| P-906904729 | 98 | Main component | in stock |
| P-906761606 | 99 | Main component | by synthesis |
| P-906775721 | 99 | Main component | by synthesis |
| P-25599111 | 90 | Main component | 1.247 g |
| P-480890735 | 97 | Main component | in stock |
| P-875690245 | 99 | Main component as a main component | in stock |
| P-1275170965 | 99 | Main component as a main component | in stock |
| P-1275149187 | 95 | Main component as a main component | in stock |
| P-903009701 | 99 | Main component as a main component | 75 g |
| P-1270320358 | 99 | Main component as a main component | in stock |
| P-606876313 | N/A | Main component as a main component | in stock |
| P-596986181 | 98 | Main component as a main component | 20 g |
| P-864197867 | 95 | Main component as a main component | in stock |
| P-666963801 | 99 | Main component as a main component | 5 g |
| P-868608470 | 98 | Main component as a main component | in stock |
| P-1264369245 | 98 | Main component as a main component | 25 g |
| P-889441691 | 98 | Main component as a main component | 224 g |
| P-596575239 | 97 | Main component as a main component | 25 g |
| P-885546734 | 95 | Main component as a main component | by synthesis |
| P-906753081 | 99 | Main component as a main component | by synthesis |
| P-611378023 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 169.178 |
| logP | 1.1285 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 60.77 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.8757 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
