Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3818086505-0
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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 29 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-3818086505-0.sdf |
| SMILES | MCULE-3818086505-0.smiles |
| Standard InChI | MCULE-3818086505-0.inchi |
| InChIKey | MCULE-3818086505-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867491281 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-875828029 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903203030 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 7 g |
| P-893542908 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 6.65 g |
| P-851944273 | AmBeed | In stock | N/A | As is | in stock |
| P-489172131 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596985736 | Angene | Building Blocks in stock | 98 | As is | 2 g |
| P-864197636 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-861345655 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580407776 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862020554 | FluoroChem | General BB | N/A | As is | in stock |
| P-580007388 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-596572748 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-563429846 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-855966047 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-579660560 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-31194669 | LaboTest | Screening Collection | 90 | As is | 30 mg |
| P-896628916 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854694083 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-875881250 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878649668 | Molnova | Stock | 98 | As is | in stock |
| P-885547669 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-904228357 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869180393 | TargetMol | Natural Products | 95 | As is | in stock |
| P-904255873 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-904243547 | TargetMol | Screening Compounds - stock amount | 95 | As is | 48 mg |
| P-33163607 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 99 mg |
| P-611524053 | Toronto Research | In stock | 90 | As is | in stock |
| P-611366013 | Toronto Research | In stock | 90 | As is | in stock |
| P-615406553 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.173 |
| logP | 0.3802 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 77.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.9786 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
