Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5958493123
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 | 28 USD | 92 | 18 working days | Get Quote |
| 5 mg | 43 USD | 92 | 18 working days | Get Quote |
| 10 mg | 54 USD | 92 | 18 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-5958493123.sdf |
| SMILES | MCULE-5958493123.smiles |
| Standard InChI | MCULE-5958493123.inchi |
| InChIKey | MCULE-5958493123.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867291733 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-889903974 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-904525802 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893455521 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.678 g |
| P-899956822 | AmBeed | On request | N/A | As is | by synthesis |
| P-901912466 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861369933 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580278407 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862111445 | FluoroChem | General BB | N/A | As is | in stock |
| P-502806989 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492219609 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488544606 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-14006397 | InterBioScreen | Natural Compounds | 95 | As is | 300 mg |
| P-596587793 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-601076449 | Life Chemicals | Screening Compounds | 90 | As is | 212 mg |
| P-14057845 | Life Chemicals | Building Blocks | 95 | As is | 212 mg |
| P-852507431 | Matrix Scientific | All | N/A | As is | in stock |
| P-895259766 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-26369458 | Otava | In-House Stock Library | 90 | As is | 100 mg |
| P-454364198 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-23567402 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-885515848 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-424830617 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896075274 | Specs | Repurposed Compounds | N/A | As is | 5.017 g |
| P-33918641 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502354250 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855223373 | Toronto Research | In stock | 90 | As is | in stock |
| P-2715213 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.064 g |
| P-3227362 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.064 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 254.236 |
| logP | 2.8712 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 70.67 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.966 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
