Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7679040272
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 | 34 USD | 97 | 14 working days | Get Quote |
| 5 mg | 34 USD | 97 | 14 working days | Get Quote |
| 10 mg | 34 USD | 97 | 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.
-
1
MCULE-4029141420
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7679040272.sdf |
| SMILES | MCULE-7679040272.smiles |
| Standard InChI | MCULE-7679040272.inchi |
| InChIKey | MCULE-7679040272.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-619277060 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
| P-867572890 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875733184 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590365229 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-873290753 | Angene | Building Blocks in stock | 97 | Main component | 50 g |
| P-872696478 | AstaTech | In Stock BBs | 97 | Main component | in stock |
| P-454691258 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-851279092 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-580756951 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
| P-580285075 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
| P-575335800 | EvoBlocks | In-stock Building Blocks | 95 | Main component | in stock |
| P-891668698 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-852396685 | Matrix Scientific | All | N/A | Main component | in stock |
| P-500390482 | Pi Chemicals | Virtual Compounds | 97 | Main component | by synthesis |
| P-23890035 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-23340820 | TimTec | ActiMol 6 Week | 90 | Main component | in stock |
| P-502328584 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-855223803 | Toronto Research | In stock | 90 | Main component | in stock |
| P-886899364 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component | in stock |
| P-867637802 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-875802792 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-855235138 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-575304571 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 345.189 |
| logP | 1.2766 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 89.87 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 85.0213 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 17 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
