Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5742862947
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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-1484050836
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5742862947.sdf |
| SMILES | MCULE-5742862947.smiles |
| Standard InChI | MCULE-5742862947.inchi |
| InChIKey | MCULE-5742862947.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565818 | 98 | Main component | in stock |
| P-875725495 | N/A | Main component | in stock |
| P-535627457 | 98 | Main component | in stock |
| P-505352024 | 99 | Main component | in stock |
| P-903054647 | 99 | Main component | 6.5 kg |
| P-905476981 | 98 | Main component | 1000 g |
| P-580268319 | 95 | Main component | by synthesis |
| P-606835046 | N/A | Main component | in stock |
| P-489124804 | 97 | Main component | in stock |
| P-596929124 | 99 | Main component | 50 kg |
| P-494345651 | 95 | Main component | unavailable |
| P-864094046 | 97 | Main component | in stock |
| P-580723268 | 98 | Main component | 3.265 kg |
| P-901414738 | 95 | Main component | in stock |
| P-454645463 | 90 | Main component | in stock |
| P-584545631 | 90 | Main component | 1.63699 kg |
| P-66056 | 90 | Main component | 1.501 g |
| P-19873674 | 90 | Main component | in stock |
| P-851281882 | 95 | Main component | by synthesis |
| P-868590593 | 98 | Main component | in stock |
| P-34744139 | 90 | Main component | by synthesis |
| P-580291113 | N/A | Main component | by resynthesis (? - ? days) |
| P-905335779 | 98 | Main component | 8.226 kg |
| P-870655012 | 98 | Main component | in stock |
| P-505491519 | 95 | Main component | in stock |
| P-502510544 | 95 | Main component | by synthesis |
| P-580009958 | 90 | Main component | in stock |
| P-492239493 | 95 | Main component | in stock |
| P-488555706 | 92 | Main component | in stock |
| P-488545025 | 90 | Main component | in stock |
| P-454330972 | 97 | Main component | 207 mg |
| P-454407655 | 97 | Main component | 500 g |
| P-31197565 | 90 | Main component | unavailable |
| P-856042887 | 90 | Main component | unavailable |
| P-467883700 | 95 | Main component | by synthesis |
| P-14089312 | 90 | Main component | 47 mg |
| P-580499880 | 97 | Main component | by synthesis |
| P-852384587 | N/A | Main component | in stock |
| P-35187430 | 90 | Main component | 1.843 kg |
| P-620223107 | 95 | Main component | 1000 mg |
| P-620066449 | 90 | Main component | 1000 mg |
| P-888884126 | N/A | Main component | in stock |
| P-454365270 | 92 | Main component | in stock |
| P-500382632 | 98 | Main component | by synthesis |
| P-885524195 | 95 | Main component | by synthesis |
| P-34121155 | 90 | Main component | in stock |
| P-502349617 | 90 | Main component | in stock |
| P-22484487 | 90 | Main component | 20 mg |
| P-611375170 | 90 | Main component | in stock |
| P-3242256 | 90 | Main component | 389 mg |
| P-3228978 | 90 | Main component | 389 mg |
| P-605403 | 90 | Main component | 389 mg |
| P-868498445 | 95 | Main component | in stock |
| P-893091733 | N/A | Main component as a main component | by synthesis |
| P-580007308 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 203.578 |
| logP | 1.28 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 87.49 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.1206 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
