Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1539221857
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 | 21 USD | 98 | 22 working days | Get Quote |
| 5 mg | 21 USD | 98 | 22 working days | Get Quote |
| 10 mg | 21 USD | 98 | 22 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-1539221857.sdf |
| SMILES | MCULE-1539221857.smiles |
| Standard InChI | MCULE-1539221857.inchi |
| InChIKey | MCULE-1539221857.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867646368 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875813479 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890252708 | ACS Scientific | Synthesis catalog | 98 | As is | by synthesis |
| P-590393452 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893484520 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 285.5 g |
| P-606938620 | AmBeed | In stock | N/A | As is | in stock |
| P-489133303 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596970004 | Angene | Building Blocks in stock | 98 | As is | 125 g |
| P-895936939 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864090221 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-580734507 | BLD pharm | In-stock building blocks | 98 | As is | 28.25 g |
| P-896633235 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868647047 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-500241808 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
| P-861963446 | FluoroChem | General BB | N/A | As is | in stock |
| P-454378156 | Key Organics | Building Blocks | 95 | As is | 2.692 g |
| P-18695156 | Key Organics | Screening Compounds and Fragments | 95 | As is | 2.692 g |
| P-580507303 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852548590 | Matrix Scientific | All | N/A | As is | in stock |
| P-895223216 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888892420 | PharmaBlock | In stock | N/A | As is | in stock |
| P-889885185 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873286161 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-873223994 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611598812 | Toronto Research | In stock | 90 | As is | in stock |
| P-615456025 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.254 |
| logP | 3.2469 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 9.23 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.356 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
