Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2444442260
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 | 9 USD | 98 | 14 working days | Get Quote |
| 5 mg | 9 USD | 98 | 14 working days | Get Quote |
| 10 mg | 9 USD | 98 | 14 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-2444442260.sdf |
| SMILES | MCULE-2444442260.smiles |
| Standard InChI | MCULE-2444442260.inchi |
| InChIKey | MCULE-2444442260.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867588895 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875748362 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-853433373 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903079028 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 100 g |
| P-851932237 | AmBeed | In stock | N/A | As is | in stock |
| P-596984473 | Angene | Building Blocks in stock | 98 | As is | 175 g |
| P-864203361 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-666960339 | BLD pharm | In-stock building blocks | 98 | As is | 6 g |
| P-4220835 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-901649829 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580299752 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862030805 | FluoroChem | General BB | N/A | As is | in stock |
| P-505525561 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502823269 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-596571830 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-580493881 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-895257287 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-617683988 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 310 mg |
| P-12354218 | Otava | In-House Stock Library | 90 | As is | 310 mg |
| P-889866242 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23813684 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22811130 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502385882 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-1252266 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 9 mg |
| P-615405161 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.182 |
| logP | 0.6134 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 93.06 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 52.5836 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
