Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6842253843
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 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-6842253843.sdf |
| SMILES | MCULE-6842253843.smiles |
| Standard InChI | MCULE-6842253843.inchi |
| InChIKey | MCULE-6842253843.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872830310 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875794186 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615714144 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903145383 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 40 g |
| P-893558123 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 65.3 g |
| P-868963298 | AmBeed | In stock | N/A | As is | in stock |
| P-875890503 | Angene | Building Blocks in stock | 95 | As is | 7 g |
| P-889790215 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868957095 | BLD pharm | In-stock building blocks | 95 | As is | 1.25 g |
| P-901520739 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-5796870 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-861389652 | Combi-Blocks | Building Block on demand | N/A | As is | by synthesis |
| P-580292482 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-18705025 | Key Organics | Screening Compounds and Fragments | 95 | As is | 77.178 g |
| P-454378282 | Key Organics | Building Blocks | 95 | As is | 77.178 g |
| P-588249645 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852412821 | Matrix Scientific | All | N/A | As is | in stock |
| P-854839768 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888877554 | PharmaBlock | In stock | N/A | As is | in stock |
| P-500401816 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-856071155 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 7.8 g |
| P-19452393 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502400295 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-906865237 | Titan Scientific | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-611486437 | Toronto Research | In stock | 90 | As is | in stock |
| P-464679213 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.661 g |
| P-1044677 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.661 g |
| P-886910813 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 210.183 |
| logP | 0.9711 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 72.83 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.3923 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
