Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3655417320
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 | 22 USD | 98 | 20 working days | Get Quote |
| 5 mg | 22 USD | 98 | 20 working days | Get Quote |
| 10 mg | 22 USD | 98 | 20 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-3655417320.sdf |
| SMILES | MCULE-3655417320.smiles |
| Standard InChI | MCULE-3655417320.inchi |
| InChIKey | MCULE-3655417320.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875755927 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-875841426 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890225882 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-619602750 | BLD pharm | In-stock building blocks | 95 | As is | 1.1 g |
| P-870584292 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-863897121 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-867596733 | A2B Chem | Predominantly Building Block in stock | 95 | As an isomer | in stock |
| P-872835627 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
| P-853431904 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-869329763 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-893447444 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 15 g |
| P-606877882 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-881618413 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-865912116 | Angene | Building Blocks in stock | 98 | As an isomer | 15 g |
| P-864206756 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-901411002 | FluoroChem | General BB | N/A | As an isomer | in stock |
| P-454414988 | Key Organics | Building Blocks | 90 | As an isomer | 1.489 g |
| P-18769854 | Key Organics | Screening Compounds and Fragments | 90 | As an isomer | 1.489 g |
| P-888871853 | PharmaBlock | In stock | N/A | As an isomer | in stock |
| P-33254743 | TimTec | ActiMol 2 Week | 90 | As an isomer | in stock |
| P-886899275 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 210.234 |
| logP | 1.9296 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 50.5 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.662 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| 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 | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
