Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5047461113
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 | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 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-5047461113.sdf |
| SMILES | MCULE-5047461113.smiles |
| Standard InChI | MCULE-5047461113.inchi |
| InChIKey | MCULE-5047461113.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867648524 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875816479 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615714031 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-19922315 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436458547 | Alinda | Building Blocks | 95 | As is | 10 g |
| P-851608844 | AmBeed | On request | N/A | As is | by synthesis |
| P-590842228 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-492270529 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-3453812 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-454709770 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868636221 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34828824 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-596591718 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-892803572 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580475782 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852430606 | Matrix Scientific | All | N/A | As is | in stock |
| P-854921350 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23946288 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-424842811 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885526691 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22808102 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873221563 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888573836 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855216330 | Toronto Research | In stock | 90 | As is | in stock |
| P-3237533 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 612 mg |
| P-1509057 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 612 mg |
| P-893671434 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.293 |
| logP | 2.2848 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 91.7 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 63.8615 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| 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 |
