Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4976412143-0
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-4489709878-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4976412143-0.sdf |
| SMILES | MCULE-4976412143-0.smiles |
| Standard InChI | MCULE-4976412143-0.inchi |
| InChIKey | MCULE-4976412143-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-861530638 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-867570354 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
| P-875730535 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-903060095 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component | 500 g |
| P-893546262 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 532.22 g |
| P-606910318 | AmBeed | In stock | N/A | Main component | in stock |
| P-596949263 | Angene | Building Blocks in stock | 97 | Main component | 175 g |
| P-596518185 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-596464379 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-901435359 | Biosynth | Synthesis | 95 | Main component | by synthesis |
| P-454632274 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-448836021 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 479 mg |
| P-620802343 | Chemical Intelligence Co Limited | Building Blocks | 95 | Main component | 1000 g |
| P-578290193 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | Main component | in stock |
| P-675063025 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | Main component | in stock |
| P-502546597 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-578140769 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-617976017 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-524168819 | Key Organics | Building Blocks | 95 | Main component | 5 g |
| P-852406919 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854743178 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
| P-500408984 | Pi Chemicals | Virtual Compounds | 95 | Main component | by synthesis |
| P-502358743 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611387249 | Toronto Research | In stock | 90 | Main component | in stock |
| P-580758418 | Crea-Chim | HTS compounds | 90 | Main component as a main component | unavailable |
| P-675096893 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 204.107 |
| logP | 2.8157 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.6144 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
