Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8696826693
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 | 29 USD | 98 | 22 working days | Get Quote |
| 5 mg | 44 USD | 98 | 16 working days | Get Quote |
| 10 mg | 71 USD | 98 | 16 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-8696826693.sdf |
| SMILES | MCULE-8696826693.smiles |
| Standard InChI | MCULE-8696826693.inchi |
| InChIKey | MCULE-8696826693.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867631501 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875795293 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505394291 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869293245 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903147460 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 100 mg |
| P-610983909 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 210 mg |
| P-606869447 | AmBeed | In stock | N/A | As is | in stock |
| P-865919832 | Angene | Building Blocks in stock | 99 | As is | 100 mg |
| P-864262120 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
| P-860055952 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-890234806 | BLD pharm | Non-stock building blocks | 99 | As is | by synthesis |
| P-15019467 | ChemDiv | Discovery Chemistry Library | 90 | As is | 35 mg |
| P-851313931 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861368078 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579482279 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-901410567 | FluoroChem | General BB | N/A | As is | in stock |
| P-675215913 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-900956841 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-524166529 | Key Organics | Building Blocks | 95 | As is | 5 mg |
| P-852556908 | Matrix Scientific | All | N/A | As is | in stock |
| P-854721380 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584616544 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608278670 | Molnova | Stock | 98 | As is | in stock |
| P-621177806 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-491318773 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-13126023 | Specs | Screening Compounds | 90 | As is | 11 mg |
| P-902756444 | Specs | Natural Products | 80 | As is | 11 mg |
| P-575331144 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892294957 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888656180 | TargetMol | Screening Compounds - stock amount | 95 | As is | 45 mg |
| P-886952127 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 347.430 |
| logP | 4.5156 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 107.78 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 94.1585 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
