Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1744090244
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 | 46 USD | 90 | 21 working days | Get Quote |
| 5 mg | 74 USD | 90 | 21 working days | Get Quote |
| 10 mg | 88 USD | 90 | 21 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-5037622156
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1744090244.sdf |
| SMILES | MCULE-1744090244.smiles |
| Standard InChI | MCULE-1744090244.inchi |
| InChIKey | MCULE-1744090244.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33241590 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-852106664 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-615721758 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893454752 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 15.24 g |
| P-901180608 | AmBeed | In stock | N/A | Main component | in stock |
| P-901922271 | BLD pharm | In-stock building blocks | 97 | Main component | 7.51 g |
| P-861371432 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-862129911 | FluoroChem | General BB | N/A | Main component | in stock |
| P-454415302 | Key Organics | Building Blocks | 95 | Main component | 25.884 g |
| P-18816303 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 25.884 g |
| P-467884051 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-601071834 | Life Chemicals | Screening Compounds | 90 | Main component | 213 mg |
| P-852416882 | Matrix Scientific | All | N/A | Main component | in stock |
| P-895290010 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-617689920 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | Main component | 111 mg |
| P-12466942 | Otava | In-House Stock Library | 90 | Main component | 111 mg |
| P-33248661 | TimTec | ActiMol 2 Week | 90 | Main component | in stock |
| P-502395002 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611579782 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 215.744 |
| logP | 3.4608 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.1467 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
