Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2803941488
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 | 45 USD | 90 | 23 working days | Get Quote |
| 5 mg | 51 USD | 95 | 12 working days | Get Quote |
| 10 mg | 51 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-2803941488.sdf |
| SMILES | MCULE-2803941488.smiles |
| Standard InChI | MCULE-2803941488.inchi |
| InChIKey | MCULE-2803941488.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860618389 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-889959453 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-874602942 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-865928390 | Angene | Building Blocks in stock | 98 | As is | 21.74 g |
| P-864203735 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-861338694 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-889344211 | FluoroChem | General BB | N/A | As is | in stock |
| P-615644111 | LabNetwork | In stock | 95 | As is | in stock |
| P-854876665 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-617687113 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 419 mg |
| P-423776946 | Otava | In-House Stock Library | 90 | As is | 419 mg |
| P-596843227 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-868535026 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.172 |
| logP | 0.7913 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 49.0185 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
