Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4114222147
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 51 USD | 90 | 19 working days | Get Quote |
| 10 mg | 64 USD | 90 | 19 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-4114222147.sdf |
| SMILES | MCULE-4114222147.smiles |
| Standard InChI | MCULE-4114222147.inchi |
| InChIKey | MCULE-4114222147.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886615297 | A2B Chem | Predominantly Building Block in stock | 96 | As is | in stock |
| P-889928869 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-613849217 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893485975 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 62 g |
| P-851822472 | AmBeed | On request | N/A | As is | by synthesis |
| P-489208886 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-873295220 | Angene | Building Blocks in stock | 97 | As is | 25 g |
| P-596518755 | Asinex | General bb catalog | 90 | As is | 236 mg |
| P-596471783 | Asinex | General screening catalog | 90 | As is | 236 mg |
| P-896029175 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591123953 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-577133528 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-454760755 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-861389482 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580769027 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
| P-580779909 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-580321751 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862086095 | FluoroChem | General BB | N/A | As is | in stock |
| P-502446389 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-492219854 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-454378300 | Key Organics | Building Blocks | 95 | As is | 59.715 g |
| P-18794982 | Key Organics | Screening Compounds and Fragments | 95 | As is | 59.715 g |
| P-580483406 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852412952 | Matrix Scientific | All | N/A | As is | in stock |
| P-854843724 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12834580 | Otava | In-House Stock Library | 90 | As is | 1.713 g |
| P-492283444 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 1.713 g |
| P-23832364 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491133506 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23352836 | Specs | Screening Compounds | 90 | As is | 24 mg |
| P-33467964 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502345372 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611485713 | Toronto Research | In stock | 90 | As is | in stock |
| P-464682289 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.024 g |
| P-1090386 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.024 g |
| P-886897321 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 190.198 |
| logP | 1.62038 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 62.12 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.8027 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
