Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4865850721-0
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 | 20 USD | 98 | 20 working days | Get Quote |
| 5 mg | 20 USD | 98 | 20 working days | Get Quote |
| 10 mg | 20 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-4865850721-0.sdf |
| SMILES | MCULE-4865850721-0.smiles |
| Standard InChI | MCULE-4865850721-0.inchi |
| InChIKey | MCULE-4865850721-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867550889 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875708644 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869223609 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436470175 | Alinda | Building Blocks | 95 | As is | 1000 mg |
| P-606945283 | AmBeed | In stock | N/A | As is | in stock |
| P-489172783 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596941421 | Angene | Building Blocks in stock | 98 | As is | 15 g |
| P-596340788 | Asinex | General screening catalog | 90 | As is | 108 mg |
| P-864170763 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580704978 | BLD pharm | In-stock building blocks | 95 | As is | 8.05 g |
| P-454724197 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868630713 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-861303994 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-524185769 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-852449152 | Matrix Scientific | All | N/A | As is | in stock |
| P-896630829 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-899990961 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-888897322 | PharmaBlock | In stock | N/A | As is | in stock |
| P-19764831 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889871012 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-896076411 | Specs | Repurposed Compounds | N/A | As is | 24.16 g |
| P-892261970 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892343373 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-502404209 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-33550227 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611429808 | Toronto Research | In stock | 90 | As is | in stock |
| P-611519743 | Toronto Research | In stock | 90 | As is | in stock |
| P-886916816 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.250 |
| logP | 1.7616 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 56.03 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 66.1517 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| 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 |
