Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4846579692
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 | 44 USD | 98 | 22 working days | Get Quote |
| 5 mg | 63 USD | 98 | 22 working days | Get Quote |
| 10 mg | 90 USD | 98 | 22 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.
-
MCULE-7046836198
- Component type: Main
-
MCULE-7532415355
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4846579692.sdf |
| SMILES | MCULE-4846579692.smiles |
| Standard InChI | MCULE-4846579692.inchi |
| InChIKey | MCULE-4846579692.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852176107 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-895198370 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-491319039 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-872837597 | A2B Chem | Predominantly Building Block in stock | 99 | As a main component | in stock |
| P-867499583 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-890182402 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-903310984 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As a main component | 100 mg |
| P-893607320 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 605 mg |
| P-905012858 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-895106124 | Angene | Building Blocks in stock | 99 | As a main component | 5 mg |
| P-872725248 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-868545304 | Axon Medchem | Axon predominantly SC catalog | 99 | As a main component | in stock |
| P-901536917 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
| P-901551026 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
| P-851299479 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-580451236 | CliniSciences S.A.S | All products | 98 | As a main component | in stock |
| P-888622718 | Key Organics | Building Blocks | 95 | As a main component | 5 mg |
| P-895198371 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
| P-895205194 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
| P-474028080 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-888174349 | Molnova | On demand | 98 | As a main component | by synthesis |
| P-869129142 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-869156527 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892293593 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
| P-888641572 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
| P-888652916 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 151 mg |
| P-855067203 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 418.663 |
| logP | 6.4918 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 13 |
| PSA | 86.74 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 124.4485 |
| Atoms | 62 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 34 |
| Heteroatoms | 5 |
| 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 |
