Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4264774391-0
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 | 14 USD | 97 | 20 working days | Get Quote |
| 5 mg | 14 USD | 97 | 20 working days | Get Quote |
| 10 mg | 14 USD | 97 | 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.
-
1
MCULE-1896560046-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4264774391-0.sdf |
| SMILES | MCULE-4264774391-0.smiles |
| Standard InChI | MCULE-4264774391-0.inchi |
| InChIKey | MCULE-4264774391-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489129676 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-619321787 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
| P-34732817 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-867639206 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
| P-875805105 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869223498 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893576893 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 336 g |
| P-851930685 | AmBeed | In stock | N/A | Main component | in stock |
| P-865922041 | Angene | Building Blocks in stock | 97 | Main component | 20 g |
| P-494349982 | Apollo Scientific | In Stock | 95 | Main component | in stock |
| P-889482772 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-494301828 | BioBlocks | In stock | 95 | Main component | in stock |
| P-454685971 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-436443678 | Chemical Block | Building Blocks | 90 | Main component | 24.9 g |
| P-335711 | Chemical Block | Screening Library | 90 | Main component | 447 mg |
| P-887118534 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-34728123 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
| P-580788186 | Crea-Chim | Building Blocks | 95 | Main component | by resynthesis (? - ? days) |
| P-580427054 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-862118237 | FluoroChem | General BB | N/A | Main component | in stock |
| P-492235773 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-502456043 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-454391769 | Key Organics | Building Blocks | 95 | Main component | 100 mg |
| P-454298158 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 100 mg |
| P-579692409 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-24064569 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-596794905 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-33446503 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502337736 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-1812246 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 55 mg |
| P-893986892 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 228.114 |
| logP | 4.307 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 12.89 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.65 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
