Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2802182771
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 | 19 USD | 95 | 15 working days | Get Quote |
| 5 mg | 19 USD | 95 | 15 working days | Get Quote |
| 10 mg | 19 USD | 95 | 15 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-2802182771.sdf |
| SMILES | MCULE-2802182771.smiles |
| Standard InChI | MCULE-2802182771.inchi |
| InChIKey | MCULE-2802182771.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867595219 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875754028 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590393340 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610902827 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-580258663 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-617046977 | Allbio Pharm | Backorder | 95 | As is | by resynthesis (? - ? days) |
| P-606936602 | AmBeed | In stock | N/A | As is | in stock |
| P-489106124 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596993026 | Angene | Building Blocks in stock | 95 | As is | 12.15 g |
| P-864091409 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868956614 | BLD pharm | In-stock building blocks | 95 | As is | 9.4 g |
| P-851251253 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861266259 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-868639624 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-861988657 | FluoroChem | General BB | N/A | As is | in stock |
| P-454412388 | Key Organics | Building Blocks | 95 | As is | unavailable |
| P-18813109 | Key Organics | Screening Compounds and Fragments | 95 | As is | unavailable |
| P-615634072 | LabNetwork | In stock | 95 | As is | in stock |
| P-580463129 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852426047 | Matrix Scientific | All | N/A | As is | in stock |
| P-854727223 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888858210 | PharmaBlock | In stock | N/A | As is | in stock |
| P-889869469 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611367976 | Toronto Research | In stock | 90 | As is | in stock |
| P-481001371 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 196.589 |
| logP | 1.9145 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.063 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
