Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8109698642
Compound
Show structures
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 | 20 USD | 95 | 34 working days | Get Quote |
| 5 mg | 20 USD | 95 | 34 working days | Get Quote |
| 10 mg | 20 USD | 95 | 34 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.
-
MCULE-6976796137
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8109698642.sdf |
| SMILES | MCULE-8109698642.smiles |
| Standard InChI | MCULE-8109698642.inchi |
| InChIKey | MCULE-8109698642.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867575120 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875734703 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-606888114 | AmBeed | In stock | N/A | As is | in stock |
| P-596950579 | Angene | Building Blocks in stock | 95 | As is | 5 g |
| P-864192675 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481173843 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 5 g |
| P-852217645 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-619927349 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868637112 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
| P-862024647 | FluoroChem | General BB | N/A | As is | in stock |
| P-502946202 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-503007755 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-524166123 | Key Organics | Building Blocks | 98 | As is | 100 g |
| P-855993010 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-454302944 | Key Organics | Screening Compounds and Fragments | 90 | As is | 264 mg |
| P-579616511 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-31178125 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-852431081 | Matrix Scientific | All | N/A | As is | in stock |
| P-26456361 | Otava | In-House Stock Library | 90 | As is | 4.247 g |
| P-492281982 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 4.247 g |
| P-885542313 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502331032 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855063487 | Toronto Research | In stock | 90 | As is | in stock |
| P-615404513 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-861340845 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.173 |
| logP | 1.2441 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 66.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.3428 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
