Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2797491080
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 | 14 USD | 98 | 20 working days | Get Quote |
| 5 mg | 14 USD | 98 | 20 working days | Get Quote |
| 10 mg | 14 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-2797491080.sdf |
| SMILES | MCULE-2797491080.smiles |
| Standard InChI | MCULE-2797491080.inchi |
| InChIKey | MCULE-2797491080.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867616820 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875778022 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615715699 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893562972 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 37.61 g |
| P-436455694 | Alinda | Building Blocks | 95 | As is | in stock |
| P-606859403 | AmBeed | In stock | N/A | As is | in stock |
| P-596932593 | Angene | Building Blocks in stock | 98 | As is | 36.55 g |
| P-895922026 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864199539 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-492254961 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-454704977 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-889032464 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-862040416 | FluoroChem | General BB | 95 | As is | in stock |
| P-855972525 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852409720 | Matrix Scientific | All | N/A | As is | in stock |
| P-863714246 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888842952 | PharmaBlock | On demand | N/A | As is | by synthesis |
| P-19573648 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873280362 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-873220732 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611471087 | Toronto Research | In stock | 90 | As is | in stock |
| P-1433497 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.044 g |
| P-615407372 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.172 |
| logP | 0.734 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 57.61 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.4278 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
