Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5588166039
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 | 99 | 14 working days | Get Quote |
| 5 mg | 8 USD | 99 | 14 working days | Get Quote |
| 10 mg | 8 USD | 99 | 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.
-
1
MCULE-8059108702
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5588166039.sdf |
| SMILES | MCULE-5588166039.smiles |
| Standard InChI | MCULE-5588166039.inchi |
| InChIKey | MCULE-5588166039.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-903091839 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 2 kg |
| P-489239266 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-862047723 | FluoroChem | General BB | N/A | As is | in stock |
| P-903169370 | Aaron Chemicals LLC | Predominantly Building Block | 99 | Main component | 10 kg |
| P-893520626 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 99.001 kg |
| P-489125628 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-579788411 | Apollo Scientific | In Stock | 95 | Main component | 9.26898 kg |
| P-889740483 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | Main component | 750 g |
| P-881631364 | Chemfaces | Natural Compounds | 98 | Main component | in stock |
| P-868362262 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868609348 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-579477647 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
| P-493677519 | Iris Biotech GmbH | Building Block Library | N/A | Main component | in stock |
| P-852505429 | Matrix Scientific | All | N/A | Main component | in stock |
| P-904073444 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-854691775 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
| P-608276173 | Molnova | Stock | 98 | Main component | in stock |
| P-888175138 | Molnova | On demand | 98 | Main component | by synthesis |
| P-579711954 | Selleck Biotechnology GmbH | Product Catalog | N/A | Main component | in stock |
| P-903034538 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component as a main component | 500 g |
| P-893599381 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 541 g |
| P-489222983 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-494305749 | Apollo Scientific | In Stock | 95 | Main component as a main component | 523.799 g |
| P-851273657 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
| P-868602589 | Combi-Blocks | Building Block in stock | 97 | Main component as a main component | in stock |
| P-868645824 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-862023858 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
| P-852606033 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-874437060 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 203.170 |
| logP | -0.2878 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 86.38 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.5819 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
