Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4781934202-0
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 66 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-7150067210-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4781934202-0.sdf |
| SMILES | MCULE-4781934202-0.smiles |
| Standard InChI | MCULE-4781934202-0.inchi |
| InChIKey | MCULE-4781934202-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867316443 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-889954959 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-862131876 | FluoroChem | General BB | N/A | As is | in stock |
| P-862532269 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-617766914 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 226 mg |
| P-15142095 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 2 mg |
| P-294184 | Chemical Block | Screening Library | 90 | Main component | 226 mg |
| P-34716006 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
| P-22614443 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-674991575 | A2B Chem | Predominantly Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-889954971 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
| P-575331796 | EvoBlocks | In-stock Building Blocks | 95 | Main component as a main component | in stock |
| P-862131897 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
| P-24485236 | InterBioScreen | Natural Compounds | 92 | Main component as a main component | 219 mg |
| P-862532379 | Manchester Organics | Compounds on demand | N/A | Main component as a main component | by synthesis |
| P-617604626 | Specs | Screening Compounds | 90 | Main component as a main component | 239 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 324.245 |
| logP | 4.8901 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 40.71 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 91.8924 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 19 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
