Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7042648030-0
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 | 44 USD | 95 | 22 working days | Get Quote |
| 5 mg | 158 USD | 95 | 22 working days | Get Quote |
| 10 mg | 271 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.
| Name | File |
|---|---|
| SDF | MCULE-7042648030-0.sdf |
| SMILES | MCULE-7042648030-0.smiles |
| Standard InChI | MCULE-7042648030-0.inchi |
| InChIKey | MCULE-7042648030-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867641380 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875807799 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869243298 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893607351 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1000 mg |
| P-851516433 | AmBeed | On request | N/A | As is | by synthesis |
| P-489111919 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-895101556 | Angene | Building Blocks in stock | 99 | As is | 500 mg |
| P-619592214 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-893221384 | Biosynth | In Stock | 95 | As is | in stock |
| P-861338457 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-870661032 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-888622761 | Key Organics | Building Blocks | 95 | As is | 1 mg |
| P-895183235 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-500397720 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-869157333 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892293715 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888653421 | TargetMol | Screening Compounds - stock amount | 95 | As is | 100 mg |
| P-611421168 | Toronto Research | In stock | 90 | As is | in stock |
| P-854984700 | Toronto Research | In stock | 90 | As is | in stock |
| P-893764282 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 290.339 |
| logP | 3.795 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 97.64 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 77.0971 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| 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 |
