Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2096443647
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 | 8 USD | 98 | 22 working days | Get Quote |
| 5 mg | 16 USD | 98 | 22 working days | Get Quote |
| 10 mg | 16 USD | 98 | 22 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-2096443647.sdf |
| SMILES | MCULE-2096443647.smiles |
| Standard InChI | MCULE-2096443647.inchi |
| InChIKey | MCULE-2096443647.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867646129 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875813660 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590360210 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610975001 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 24.792 g |
| P-606831927 | AmBeed | In stock | N/A | As is | in stock |
| P-489200983 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596970058 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
| P-580193878 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864125579 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-851249295 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-860799045 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861490482 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579479334 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-675215861 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-852523080 | Matrix Scientific | All | N/A | As is | in stock |
| P-854721171 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474023771 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608276965 | Molnova | Stock | 98 | As is | in stock |
| P-491319200 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579712490 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-869122499 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892290002 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888636862 | TargetMol | Screening Compounds - stock amount | 95 | As is | 22 mg |
| P-480868969 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 418.368 |
| logP | 3.9718 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 96.37 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 102.6597 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 17 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
