Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8581562842
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 | 36 USD | 90 | 21 working days | Get Quote |
| 5 mg | 36 USD | 90 | 21 working days | Get Quote |
| 10 mg | 41 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-1059419881
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8581562842.sdf |
| SMILES | MCULE-8581562842.smiles |
| Standard InChI | MCULE-8581562842.inchi |
| InChIKey | MCULE-8581562842.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867669540 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875842181 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-894673648 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903214690 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 500 mg |
| P-893580892 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 75.79 g |
| P-851633540 | AmBeed | On request | N/A | As is | by synthesis |
| P-895940818 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889801400 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-611052293 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-901475096 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-492247088 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-3413120 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-619308672 | ChemDiv | Discovery Chemistry Library | 90 | As is | 27 mg |
| P-617323489 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-861557317 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34702982 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-901383628 | FluoroChem | In Stock BB | N/A | As is | 100 mg |
| P-855949551 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-872527381 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-675097810 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33479522 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-611594419 | Toronto Research | In stock | 90 | As is | in stock |
| P-893667155 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-612943136 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-903098265 | Aaron Chemicals LLC | Predominantly Building Block | 95 | Main component | 5 g |
| P-851717286 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596503758 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-869992019 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-889802014 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-591033672 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-454705313 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-596586951 | Key Organics | Building Blocks | 90 | Main component | 500 mg |
| P-852403011 | Matrix Scientific | All | N/A | Main component | in stock |
| P-885516890 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-502334161 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611572609 | Toronto Research | In stock | 90 | Main component | in stock |
| P-1403033 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 2.319 g |
| P-3223926 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 2.319 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 201.691 |
| logP | 3.1432 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.3454 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
