Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5546865631
Compound
Show structures
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 | 24 USD | 92 | 18 working days | Get Quote |
| 5 mg | 38 USD | 92 | 18 working days | Get Quote |
| 10 mg | 47 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-5546865631.sdf |
| SMILES | MCULE-5546865631.smiles |
| Standard InChI | MCULE-5546865631.inchi |
| InChIKey | MCULE-5546865631.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852155718 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-890043273 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-893384895 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-875898508 | Allbio Pharm | Backorder | 95 | As is | by resynthesis (? - ? days) |
| P-899915485 | AmBeed | On request | N/A | As is | by synthesis |
| P-901864478 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-861457138 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-569207687 | Eximed | In-stock screening compounds | 90 | As is | in stock |
| P-579803094 | Eximed | In-stock screening compounds | 90 | As is | in stock |
| P-904200728 | Eximed | Building Block Catalog | 95 | As is | 1.28 g |
| P-569436092 | Eximed | Building Block Catalog | 95 | As is | 900 mg |
| P-502569384 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-580044761 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-580044961 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492236780 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-580006262 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488553705 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-24449507 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
| P-596597179 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-872929813 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852570060 | Matrix Scientific | All | N/A | As is | in stock |
| P-864076506 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-34032818 | Otava | In-House Stock Library | 90 | As is | 1.3 g |
| P-881186931 | Otava | In-House Stock Library | 90 | As is | 1.28 g |
| P-620225908 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 1.3 g |
| P-454374254 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-23787865 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-520102866 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873235314 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-25688603 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.394 g |
| P-464689331 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.394 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.220 |
| logP | 1.6965 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 49.741 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| 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 |
