Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1557206841
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 | 17 USD | 98 | 20 working days | Get Quote |
| 5 mg | 26 USD | 98 | 20 working days | Get Quote |
| 10 mg | 40 USD | 98 | 15 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-8620288391
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1557206841.sdf |
| SMILES | MCULE-1557206841.smiles |
| Standard InChI | MCULE-1557206841.inchi |
| InChIKey | MCULE-1557206841.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489150536 | 97 | As is | in stock |
| P-867610971 | 98 | Main component | in stock |
| P-875770836 | N/A | Main component | in stock |
| P-590397899 | 98 | Main component | in stock |
| P-903110340 | 98 | Main component | 3 g |
| P-606901388 | N/A | Main component | in stock |
| P-596962531 | 98 | Main component | 2 g |
| P-580193075 | 98 | Main component | in stock |
| P-889545997 | 95 | Main component | in stock |
| P-860055906 | 98 | Main component | by synthesis |
| P-868544019 | 98 | Main component | in stock |
| P-580712280 | 98 | Main component | 1.676 g |
| P-901561713 | 95 | Main component | by synthesis |
| P-881633829 | 98 | Main component | in stock |
| P-851240091 | 95 | Main component | by synthesis |
| P-860798061 | 98 | Main component | in stock |
| P-861350680 | 95 | Main component | by synthesis |
| P-579478965 | 95 | Main component | in stock |
| P-580434291 | 95 | Main component | by resynthesis (? - ? days) |
| P-675215990 | 95 | Main component | in stock |
| P-502577498 | 95 | Main component | by synthesis |
| P-596561823 | 97 | Main component | 100 mg |
| P-852465622 | N/A | Main component | in stock |
| P-904640815 | 95 | Main component | by synthesis |
| P-854716244 | 95 | Main component | in stock |
| P-474021590 | 95 | Main component | in stock |
| P-608277249 | 98 | Main component | in stock |
| P-491319166 | 95 | Main component | by synthesis |
| P-579709949 | N/A | Main component | in stock |
| P-869127988 | 95 | Main component | by synthesis |
| P-892291582 | 95 | Main component | unavailable |
| P-888640867 | 95 | Main component | 197 mg |
| P-611425673 | 90 | Main component | in stock |
| P-886918316 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 414.868 |
| logP | 3.2966 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 154.49 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 102.1622 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 19 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| 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 |
