Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1818088954-0
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 | 36 USD | 95 | 14 working days | Get Quote |
| 5 mg | 36 USD | 95 | 14 working days | Get Quote |
| 10 mg | 36 USD | 95 | 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-6176036550-0
- Component type: Main
-
1
MCULE-3549142744-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1818088954-0.sdf |
| SMILES | MCULE-1818088954-0.smiles |
| Standard InChI | MCULE-1818088954-0.inchi |
| InChIKey | MCULE-1818088954-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852605798 | Matrix Scientific | All | N/A | As is | in stock |
| P-867573784 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875733956 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-893521877 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 8 g |
| P-489108631 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-864101284 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-878240011 | CHESS Chem | All products | 98 | Main component | in stock |
| P-870585126 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-580436489 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-861943615 | FluoroChem | General BB | 97 | Main component | in stock |
| P-899781925 | Key Organics | Building Blocks | 97 | Main component | 50 mg |
| P-563533280 | Key Organics | Building Blocks | 95 | Main component | 250 mg |
| P-454322454 | Key Organics | Screening Compounds and Fragments | 90 | Main component | 108 mg |
| P-579648350 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-580516917 | Manchester Organics | Stock compounds | 95 | Main component | 342.2 g |
| P-852424277 | Matrix Scientific | All | N/A | Main component | in stock |
| P-895256129 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-611440698 | Toronto Research | In stock | 90 | Main component | in stock |
| P-886932028 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-886800201 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-890081297 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
| P-889905085 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
| P-861468414 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-575337573 | EvoBlocks | In-stock Building Blocks | 95 | Main component as a main component | in stock |
| P-14044139 | InFarmatik | Building Blocks | 90 | Main component as a main component | no data |
| P-580491090 | Manchester Organics | Compounds on demand | 95 | Main component as a main component | by synthesis |
| P-895278920 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-893808919 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 306.356 |
| logP | 1.4588 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 89.87 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 91.2683 |
| Atoms | 44 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
