Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3316737797
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 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-8745829322
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3316737797.sdf |
| SMILES | MCULE-3316737797.smiles |
| Standard InChI | MCULE-3316737797.inchi |
| InChIKey | MCULE-3316737797.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502943295 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-886685610 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-889987197 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-869313621 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851624794 | AmBeed | On request | N/A | Main component | by synthesis |
| P-889800287 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-611098930 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-874547691 | ChemDiv | Discovery Chemistry Library | 90 | Main component | unavailable |
| P-502839295 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-492223907 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-13806073 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-613279226 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-869019647 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-12962487 | Otava | In-House Stock Library | 90 | Main component | 69 mg |
| P-23807574 | Pharmeks LLC | Synthetic compounds | 92 | Main component | 300 mg |
| P-19566211 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-33460554 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502356733 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611582261 | Toronto Research | In stock | 90 | Main component | in stock |
| P-3026960 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 110 mg |
| P-893851240 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-503002856 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
| P-492244868 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 282.385 |
| logP | 0.3869 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 158.66 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.5356 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
