Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2005989209-0
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 | 89 USD | 90 | 17 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 117 USD | 90 | 10 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-8166800268-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2005989209-0.sdf |
| SMILES | MCULE-2005989209-0.smiles |
| Standard InChI | MCULE-2005989209-0.inchi |
| InChIKey | MCULE-2005989209-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-31165063 | 90 | As is | 250 mg |
| P-674980053 | 90 | Main component | by synthesis |
| P-1268887955 | 90 | Main component | by synthesis |
| P-851824076 | N/A | Main component | by synthesis |
| P-596343555 | 90 | Main component | 1000 mg |
| P-596488976 | 90 | Main component | 1000 mg |
| P-591097595 | 97 | Main component | by synthesis |
| P-666901650 | 90 | Main component | 5 mg |
| P-674261443 | 90 | Main component | 91 mg |
| P-675046940 | 90 | Main component | in stock |
| P-852401609 | N/A | Main component | by synthesis |
| P-895431506 | 95 | Main component | by synthesis |
| P-888666198 | 90 | Main component | in stock |
| P-873214034 | 90 | Main component | in stock |
| P-903637684 | 94 | Main component | by resynthesis (? - ? days) |
| P-894622198 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-851760639 | N/A | Main component as a main component | by synthesis |
| P-591072583 | 95 | Main component as a main component | by synthesis |
| P-861301349 | 90 | Main component as a main component | by synthesis |
| P-580778787 | 90 | Main component as a main component | by resynthesis (? - ? days) |
| P-580768000 | 90 | Main component as a main component | in stock |
| P-1275236149 | 90 | Main component as a main component | in stock |
| P-580471916 | 95 | Main component as a main component | by synthesis |
| P-1272563626 | N/A | Main component as a main component | 500 mg |
| P-852380221 | N/A | Main component as a main component | by synthesis |
| P-852395404 | N/A | Main component as a main component | by synthesis |
| P-852600431 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 346.377 |
| logP | 3.3558 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 117.0 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 98.887 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 22 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
