Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4395974853
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-4395974853.sdf |
| SMILES | MCULE-4395974853.smiles |
| Standard InChI | MCULE-4395974853.inchi |
| InChIKey | MCULE-4395974853.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867290677 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-853432709 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893444703 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 29.921 g |
| P-851870071 | AmBeed | On request | N/A | As is | by synthesis |
| P-489149105 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-892187237 | Angene | Building Blocks in stock | 98 | As is | 5 g |
| P-889792743 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591130889 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-454686224 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-584581390 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-436443772 | Chemical Block | Building Blocks | 90 | As is | 8.49 g |
| P-340121 | Chemical Block | Screening Library | 90 | As is | 459 mg |
| P-851270026 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861274944 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-893627205 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34729431 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580788270 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-580305149 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889379937 | FluoroChem | General BB | 95 | As is | in stock |
| P-891299535 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-563668291 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-895225659 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-26396443 | Otava | In-House Stock Library | 90 | As is | 1.786 g |
| P-492276580 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.786 g |
| P-24065486 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22625427 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502337825 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611492990 | Toronto Research | In stock | 90 | As is | in stock |
| P-1889949 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
| P-480270832 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.217 |
| logP | 2.2319 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 36.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.9985 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| 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 |
