Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5172319560-0
Structure
Show compound
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 | 20 working days | Get Quote |
| 5 mg | 8 USD | 98 | 20 working days | Get Quote |
| 10 mg | 8 USD | 98 | 20 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-5172319560-0.sdf |
| SMILES | MCULE-5172319560-0.smiles |
| Standard InChI | MCULE-5172319560-0.inchi |
| InChIKey | MCULE-5172319560-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867588566 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875747723 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881662021 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590372211 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-517102320 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851450643 | AmBeed | On request | N/A | As is | by synthesis |
| P-596989142 | Angene | Building Blocks in stock | 98 | As is | 1000 g |
| P-494326753 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864196466 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590776654 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-868617360 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580302897 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861934123 | FluoroChem | General BB | 95 | As is | in stock |
| P-502529101 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-855955102 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-892817549 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852378201 | Matrix Scientific | All | N/A | As is | in stock |
| P-895256607 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500372538 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885546357 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502340137 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22538597 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 43 mg |
| P-611380044 | Toronto Research | In stock | 90 | As is | in stock |
| P-580448560 | Trans World Chemicals | A-chem Products | 97 | As is | in stock |
| P-666977808 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 227.258 |
| logP | 3.0699 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.194 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
