Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2121893947
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 | 16 USD | 98 | 22 working days | Get Quote |
| 5 mg | 39 USD | 98 | 22 working days | Get Quote |
| 10 mg | 78 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.
-
MCULE-5469886479
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2121893947.sdf |
| SMILES | MCULE-2121893947.smiles |
| Standard InChI | MCULE-2121893947.inchi |
| InChIKey | MCULE-2121893947.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867619422 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-872838628 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-892784942 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-874614614 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893536405 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.2 g |
| P-893515826 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 500 mg |
| P-851937421 | AmBeed | In stock | N/A | As is | in stock |
| P-606910157 | AmBeed | In stock | N/A | As is | in stock |
| P-865934150 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
| P-865916874 | Angene | Building Blocks in stock | 98 | As is | 200 mg |
| P-596649981 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864204350 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-896055202 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-868544664 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-901549420 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-901520502 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-448864384 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2.221 g |
| P-578509803 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-861286969 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-855956741 | Key Organics | Building Blocks | 97 | As is | 40 mg |
| P-855925641 | Key Organics | Building Blocks | 97 | As is | 50 mg |
| P-869108967 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869109982 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892287116 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892287455 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888627753 | TargetMol | Screening Compounds - stock amount | 95 | As is | 168 mg |
| P-888628424 | TargetMol | Screening Compounds - stock amount | 95 | As is | 150 mg |
| P-886969622 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-868516144 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-867681405 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-869292892 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-904320030 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 55 mg |
| P-891646526 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-895106595 | Angene | Building Blocks in stock | N/A | As a main component | 50 mg |
| P-889521523 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-868545245 | Axon Medchem | Axon predominantly SC catalog | 100 | As a main component | in stock |
| P-901546258 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
| P-892214556 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-904244208 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
| P-892310869 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 38 mg |
| P-855353425 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 317.423 |
| logP | 5.3208 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.1 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 98.6302 |
| Atoms | 47 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 23 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
