Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3921496240
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 | 91 USD | 90 | 17 working days | Get Quote |
| 5 mg | 91 USD | 90 | 17 working days | Get Quote |
| 10 mg | 129 USD | 90 | 17 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-5159132025
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3921496240.sdf |
| SMILES | MCULE-3921496240.smiles |
| Standard InChI | MCULE-3921496240.inchi |
| InChIKey | MCULE-3921496240.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867446142 | N/A | As is | by synthesis |
| P-904530837 | 95 | As is | in stock |
| P-1263694012 | N/A | As is | in stock |
| P-901361447 | 95 | As is | by synthesis |
| P-590919249 | 97 | As is | by synthesis |
| P-617651533 | 90 | As is | in stock |
| P-584603477 | 95 | As is | in stock |
| P-617323101 | 90 | As is | in stock |
| P-861527392 | 95 | As is | by synthesis |
| P-852531900 | N/A | As is | in stock |
| P-35279797 | 90 | As is | 922 g |
| P-864072077 | 95 | As is | by synthesis |
| P-896240779 | 90 | As is | 22 mg |
| P-873227932 | 90 | As is | in stock |
| P-905046191 | 90 | As is | 91 mg |
| P-855325306 | 90 | As is | in stock |
| P-852180540 | N/A | Main component | by synthesis |
| P-1263096323 | N/A | Main component | by synthesis |
| P-895339243 | 95 | Main component | by synthesis |
| P-856969977 | 95 | Main component | by synthesis |
| P-674994453 | 95 | Main component as a main component | by synthesis |
| P-889958836 | N/A | Main component as a main component | by synthesis |
| P-575336809 | 95 | Main component as a main component | in stock |
| P-895276248 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 237.149 |
| logP | 4.0687 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 75.17 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.0791 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
