Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2086865718
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 | 46 USD | 90 | 21 working days | Get Quote |
| 5 mg | 74 USD | 90 | 21 working days | Get Quote |
| 10 mg | 78 USD | 97 | 11 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-6499785776
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2086865718.sdf |
| SMILES | MCULE-2086865718.smiles |
| Standard InChI | MCULE-2086865718.inchi |
| InChIKey | MCULE-2086865718.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867536572 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875691704 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-615723862 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851622085 | AmBeed | On request | N/A | Main component | by synthesis |
| P-590970759 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-492267131 | ChemBridge | Building Block Library | 95 | Main component | in stock |
| P-868569560 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-862042708 | FluoroChem | General BB | 95 | Main component | in stock |
| P-855946276 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
| P-852394565 | Matrix Scientific | All | N/A | Main component | in stock |
| P-895391594 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-13190152 | Otava | In-House Stock Library | 90 | Main component | 79 mg |
| P-12481930 | Specs | Screening Compounds | 90 | Main component | 43 mg |
| P-611485707 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893661820 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 278.732 |
| logP | 3.9859 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 64.35 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 78.5176 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
