Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4591417356-0
Structure
Show compound
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 | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 USD | 90 | 19 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-4591417356-0.sdf |
| SMILES | MCULE-4591417356-0.smiles |
| Standard InChI | MCULE-4591417356-0.inchi |
| InChIKey | MCULE-4591417356-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867641683 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875807627 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-893590284 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2 g |
| P-851590870 | AmBeed | On request | N/A | As is | by synthesis |
| P-864135774 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590915919 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861344741 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580440908 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-502459290 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502442937 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-893292965 | Key Organics | Building Blocks | 90 | As is | 10.271 g |
| P-18701412 | Key Organics | Screening Compounds and Fragments | 90 | As is | 10.271 g |
| P-615639917 | LabNetwork | In stock | 95 | As is | in stock |
| P-854775626 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-13239382 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-18984895 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491240456 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-453917003 | Specs | Screening Compounds | 90 | As is | 51.38 g |
| P-611382841 | Toronto Research | In stock | 90 | As is | in stock |
| P-578056511 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
| P-615418277 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 284.738 |
| logP | 2.8668 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 32.34 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 85.0892 |
| Atoms | 33 |
| Rings | 4 |
| Heavy atoms | 20 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
