Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8348185859-0
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 | 46 USD | 90 | 21 working days | Get Quote |
| 5 mg | 70 USD | 90 | 21 working days | Get Quote |
| 10 mg | 81 USD | 95 | 27 working days | Get Quote |
New customers are eligible for 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-1809361930-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8348185859-0.sdf |
| SMILES | MCULE-8348185859-0.smiles |
| Standard InChI | MCULE-8348185859-0.inchi |
| InChIKey | MCULE-8348185859-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-675420935 | Innovapharm | Screening Compounds | 90 | As is | in stock | October 25, 2021 |
| P-675261889 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis | October 25, 2021 |
| P-852100365 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis | March 22 |
| P-612938044 | AK Scientific | Building Blocks | 95 | Main component | in stock | August 3, 2020 |
| P-436464079 | Alinda | Building Blocks | 95 | Main component | in stock | March 29, 2017 |
| P-596514478 | Asinex | General bb catalog | 90 | Main component | 1000 mg | 4 hours ago |
| P-596404853 | Asinex | General screening catalog | 90 | Main component | 1000 mg | 4 hours ago |
| P-454635845 | ChemDiv | Building Blocks in stock | 90 | Main component | unavailable | January 17 |
| P-861534681 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis | April 2, 2022 |
| P-861973690 | FluoroChem | All BB | 95 | Main component | in stock | May 5, 2022 |
| P-590341976 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | in stock | November 27, 2022 |
| P-590291928 | HTS Biochemie Innovationen GmbH | Building Blocks - small amounts | 90 | Main component | 7.41 g | January 31, 2020 |
| P-492233843 | Innovapharm | Building Blocks | 95 | Main component | in stock | December 18, 2016 |
| P-855975146 | Key Organics | Building Blocks | 95 | Main component | 1000 mg | May 30 |
| P-14064259 | Life Chemicals | Building Blocks | 95 | Main component | 1.045 g | May 9 |
| P-601072522 | Life Chemicals | Screening Compounds | 90 | Main component | 1.045 g | May 9 |
| P-852386216 | Matrix Scientific | All | N/A | Main component | in stock | February 18, 2022 |
| P-19701412 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock | May 30, 2013 |
| P-859995548 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis | May 25, 2022 |
| P-23338585 | TimTec | ActiMol 6 Week | 90 | Main component | in stock | April 1, 2014 |
| P-502340538 | TimTec | Building Block Collection | 90 | Main component | in stock | February 1, 2015 |
| P-855224458 | Toronto Research | In stock | 90 | Main component | in stock | May 10, 2022 |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 293.161 |
| logP | 2.518 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 23.55 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 79.428 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
