Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2758494345
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 | 13 USD | 95 | 8 working days | Get Quote |
| 5 mg | 13 USD | 95 | 8 working days | Get Quote |
| 10 mg | 13 USD | 95 | 8 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-9759519789
- Component type: Main
-
1
MCULE-2809467532
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2758494345.sdf |
| SMILES | MCULE-2758494345.smiles |
| Standard InChI | MCULE-2758494345.inchi |
| InChIKey | MCULE-2758494345.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867569426 | A2B Chem | Predominantly Building Block in stock | 99 | Main component | in stock |
| P-875729962 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869188057 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-590369294 | AK Scientific | Building Blocks | 99 | Main component | in stock |
| P-489185290 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-866724030 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-889740658 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | Main component | 500 g |
| P-862061124 | FluoroChem | General BB | N/A | Main component | in stock |
| P-590341366 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | in stock |
| P-492217930 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-488550654 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-454393308 | Key Organics | Building Blocks | 95 | Main component | 22 g |
| P-454393309 | Key Organics | Building Blocks | 95 | Main component | 25 g |
| P-31220061 | LaboTest | Screening Collection | 90 | Main component | unavailable |
| P-856039532 | LaboTest | Building Blocks | 90 | Main component | unavailable |
| P-613284812 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-867706480 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-852504812 | Matrix Scientific | All | N/A | Main component | in stock |
| P-12680451 | Otava | In-House Stock Library | 90 | Main component | 250 g |
| P-492279831 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 250 g |
| P-454368969 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-519886462 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-889880452 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-854990849 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 137.606 |
| logP | 0.8505 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 24.56 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 34.8317 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
