Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5505834398
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 | 64 USD | 90 | 22 working days | Get Quote |
| 5 mg | 66 USD | 95 | 10 working days | Get Quote |
| 10 mg | 66 USD | 95 | 10 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-5505834398.sdf |
| SMILES | MCULE-5505834398.smiles |
| Standard InChI | MCULE-5505834398.inchi |
| InChIKey | MCULE-5505834398.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867610855 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875770771 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-612935782 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851574182 | AmBeed | On request | N/A | As is | by synthesis |
| P-596316352 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596487927 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-864213294 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590937133 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-492267381 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-4594483 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
| P-3398596 | ChemDiv | Discovery Chemistry Library | 90 | As is | 20 mg |
| P-868621681 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-861973436 | FluoroChem | General BB | N/A | As is | in stock |
| P-502472702 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-12668823 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-563470564 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852381953 | Matrix Scientific | All | N/A | As is | in stock |
| P-854921777 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-445280388 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-18935065 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502334957 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611434809 | Toronto Research | In stock | 90 | As is | in stock |
| P-3240887 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 2.023 g |
| P-872760193 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 221.281 |
| logP | 2.5889 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 89.27 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.2584 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| 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 |
