Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1528795394-0
Structure
Show compound
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 | 27 USD | 95 | 7 working days | Get Quote |
| 5 mg | 27 USD | 95 | 7 working days | Get Quote |
| 10 mg | 45 USD | 95 | 7 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-3029746686-0
- Component type: Main
-
1
MCULE-3549142744-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1528795394-0.sdf |
| SMILES | MCULE-1528795394-0.smiles |
| Standard InChI | MCULE-1528795394-0.inchi |
| InChIKey | MCULE-1528795394-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903174450 | N/A | As is | 100 mg |
| P-867640132 | 98 | Main component | in stock |
| P-875806547 | N/A | Main component | in stock |
| P-595216078 | 98 | Main component | in stock |
| P-903163347 | 96 | Main component | 8 mg |
| P-610959679 | 90 | Main component | 11.649 g |
| P-851766483 | N/A | Main component | by synthesis |
| P-881108455 | 98 | Main component | 8 mg |
| P-872722998 | 98 | Main component | in stock |
| P-889497974 | 95 | Main component | by synthesis |
| P-591177347 | 98 | Main component | by synthesis |
| P-887188900 | 95 | Main component | by synthesis |
| P-579480639 | 95 | Main component | in stock |
| P-901411644 | 96 | Main component | 8 mg |
| P-870652943 | N/A | Main component | in stock |
| P-873242751 | 97 | Main component | 100 mg |
| P-1263155819 | 95 | Main component | by synthesis |
| P-854715009 | 95 | Main component | in stock |
| P-888170951 | 98 | Main component | by synthesis |
| P-869115921 | 95 | Main component | by synthesis |
| P-904245001 | 95 | Main component | unavailable |
| P-888631639 | 95 | Main component | 10 mg |
| P-611474470 | 90 | Main component | in stock |
| P-867646162 | 99 | Main component as a main component | in stock |
| P-1263866403 | 90 | Main component as a main component | 1.356 g |
| P-851847935 | N/A | Main component as a main component | by synthesis |
| P-895102447 | N/A | Main component as a main component | 100 mg |
| P-872722999 | 98 | Main component as a main component | in stock |
| P-889497937 | 95 | Main component as a main component | by synthesis |
| P-591117468 | 98 | Main component as a main component | by synthesis |
| P-887238238 | 95 | Main component as a main component | by synthesis |
| P-579480640 | 95 | Main component as a main component | in stock |
| P-873245478 | 97 | Main component as a main component | 100 mg |
| P-1263155820 | 95 | Main component as a main component | by synthesis |
| P-863732423 | 95 | Main component as a main component | in stock |
| P-888171234 | 98 | Main component as a main component | by synthesis |
| P-869115922 | 95 | Main component as a main component | by synthesis |
| P-888631640 | 95 | Main component as a main component | 86 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 377.432 |
| logP | 3.4868 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 77.84 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 113.1596 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 23 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
