Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3094145697
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 | 37 USD | 90 | 19 working days | Get Quote |
| 5 mg | 54 USD | 90 | 19 working days | Get Quote |
| 10 mg | 68 USD | 90 | 19 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-1686127573
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3094145697.sdf |
| SMILES | MCULE-3094145697.smiles |
| Standard InChI | MCULE-3094145697.inchi |
| InChIKey | MCULE-3094145697.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-674992482 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-889956004 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-575333394 | EvoBlocks | In-stock Building Blocks | 95 | As is | in stock |
| P-862531043 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-895276823 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-617602666 | Specs | Screening Compounds | 90 | As is | 287 mg |
| P-674992481 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-889956003 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-851628606 | AmBeed | On request | N/A | Main component | by synthesis |
| P-611051741 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-575333393 | EvoBlocks | In-stock Building Blocks | 95 | Main component | in stock |
| P-862132774 | FluoroChem | General BB | N/A | Main component | in stock |
| P-862531042 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-895276822 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-19688898 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-2945232 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 245 mg |
| P-674992483 | A2B Chem | Predominantly Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-889956005 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
| P-575333395 | EvoBlocks | In-stock Building Blocks | 95 | Main component as a main component | in stock |
| P-862531044 | Manchester Organics | Compounds on demand | N/A | Main component as a main component | by synthesis |
| P-895276824 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 242.786 |
| logP | 3.6911 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 74.6097 |
| Atoms | 39 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 23 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
