Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3548538547
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 | 8 USD | 97 | 20 working days | Get Quote |
| 5 mg | 8 USD | 97 | 20 working days | Get Quote |
| 10 mg | 8 USD | 97 | 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-3548538547.sdf |
| SMILES | MCULE-3548538547.smiles |
| Standard InChI | MCULE-3548538547.inchi |
| InChIKey | MCULE-3548538547.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875830457 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890252558 | ACS Scientific | Synthesis catalog | 97 | As is | by synthesis |
| P-590374747 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893546456 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 145.787 g |
| P-606925314 | AmBeed | In stock | N/A | As is | in stock |
| P-489145800 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596972766 | Angene | Building Blocks in stock | 97 | As is | 50 g |
| P-864089594 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-868645657 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580406953 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861928277 | FluoroChem | General BB | N/A | As is | in stock |
| P-863616143 | Georganics Ltd. | On request | 98 | As is | by synthesis |
| P-505523831 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502476054 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-579453258 | Key Organics | Building Blocks | 97 | As is | 22.956 g |
| P-596546818 | Key Organics | Screening Compounds and Fragments | 97 | As is | 22.956 g |
| P-580509171 | Manchester Organics | Compounds on demand | 97 | As is | by synthesis |
| P-852469458 | Matrix Scientific | All | N/A | As is | in stock |
| P-35169663 | Maybridge | Screening Collection | 90 | As is | 14.83 kg |
| P-854751166 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-12914581 | Otava | In-House Stock Library | 90 | As is | 1.771 g |
| P-492284712 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.771 g |
| P-500395937 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-856066139 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 15.1 g |
| P-34211555 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-596790835 | Synthonix | In-stock Building Blocks | 97 | As is | 1.143 kg |
| P-502372208 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-901164421 | XtalPi Inc. | Express Building Blocks | 97 | As is | in stock |
| P-615392871 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 156.204 |
| logP | 1.7653 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 65.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 40.6708 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
