Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4379613114
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 | 70 USD | 90 | 8 working days | Get Quote |
| 5 mg | 117 USD | 90 | 8 working days | Get Quote |
| 10 mg | 150 USD | 95 | 22 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.
-
MCULE-7719569283
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4379613114.sdf |
| SMILES | MCULE-4379613114.smiles |
| Standard InChI | MCULE-4379613114.inchi |
| InChIKey | MCULE-4379613114.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867540095 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875696212 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-588245273 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-610979782 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3.9 g |
| P-873288990 | Angene | Building Blocks in stock | 97 | As is | 1000 mg |
| P-864093147 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-861414577 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862037280 | FluoroChem | General BB | 95 | As is | in stock |
| P-563551473 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-856043043 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31267775 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580472211 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-854809605 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-555288214 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22531170 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 178 mg |
| P-611533288 | Toronto Research | In stock | 90 | As is | in stock |
| P-893796351 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-563499338 | Key Organics | Building Blocks | 97 | As a main component | 250 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.311 |
| logP | 2.3717 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.7487 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 20 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
