Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1613845302-0
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 | 104 USD | 90 | 27 working days | Get Quote |
| 5 mg | 117 USD | 90 | 27 working days | Get Quote |
| 10 mg | 124 USD | 90 | 12 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-1497940052-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1613845302-0.sdf |
| SMILES | MCULE-1613845302-0.smiles |
| Standard InChI | MCULE-1613845302-0.inchi |
| InChIKey | MCULE-1613845302-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892917956 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
| P-901231766 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-892193030 | Angene | Building Blocks in stock | 97 | As is | 5 g |
| P-889774227 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-852106494 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-889934071 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-615721446 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893484072 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 30 g |
| P-436475670 | Alinda | Building Blocks | 95 | Main component | in stock |
| P-851749380 | AmBeed | On request | N/A | Main component | by synthesis |
| P-851898012 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596517929 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-596458831 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-590949605 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-591128128 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-454661748 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-861531932 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-502482987 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-855978683 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
| P-852402722 | Matrix Scientific | All | N/A | Main component | in stock |
| P-895375092 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-23970317 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-502334319 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611580860 | Toronto Research | In stock | 90 | Main component | in stock |
| P-886964885 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 217.691 |
| logP | 2.9235 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 44.48 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.7124 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
