Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4559727980
Compound
Show structures
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 | 43 USD | 95 | 37 working days | Get Quote |
| 5 mg | 95 USD | 95 | 37 working days | Get Quote |
| 10 mg | 174 USD | 95 | 37 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-4559727980.sdf |
| SMILES | MCULE-4559727980.smiles |
| Standard InChI | MCULE-4559727980.inchi |
| InChIKey | MCULE-4559727980.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886618807 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-888819541 | Angene | Building Blocks in stock | 98 | As is | 75 mg |
| P-872725488 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-596381965 | Asinex | General screening catalog | 90 | As is | 4 mg |
| P-889521756 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-502497267 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-504503814 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502733081 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502938497 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492236471 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-873244422 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-888641457 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869128964 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-33455933 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873235237 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855067031 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 342.346 |
| logP | 3.7443 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 104.06 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 94.188 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 | 2 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
