Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2217096901
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-2217096901.sdf |
| SMILES | MCULE-2217096901.smiles |
| Standard InChI | MCULE-2217096901.inchi |
| InChIKey | MCULE-2217096901.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886563072 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-889906906 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869248373 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-489231196 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-590873493 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-500143867 | Chemtos | In-stock Products | 95 | As is | in stock |
| P-861389272 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579523633 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-890212430 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-492238800 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-503002327 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-891633313 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-35170945 | Maybridge | Screening Collection | 90 | As is | 3.759 kg |
| P-895257012 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-19553407 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-859989391 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-498642110 | SV CHEMBIOTECH | SV Chembiotech Products | 95 | As is | by synthesis |
| P-22824368 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873236152 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611404136 | Toronto Research | In stock | 90 | As is | in stock |
| P-854984736 | Toronto Research | In stock | 90 | As is | in stock |
| P-1093934 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 4.15 g |
| P-893815324 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.258 |
| logP | 3.385 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 66.1907 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
