Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5882780847
Compound
Show structures
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 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-7145874038
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5882780847.sdf |
| SMILES | MCULE-5882780847.smiles |
| Standard InChI | MCULE-5882780847.inchi |
| InChIKey | MCULE-5882780847.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-619316158 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
| P-34732873 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-488549894 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-24417331 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-454368396 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13887977 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-873216172 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-875269401 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 3 mg |
| P-852123010 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-875837205 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-436463833 | Alinda | Building Blocks | 95 | Main component | 3 g |
| P-851689764 | AmBeed | On request | N/A | Main component | by synthesis |
| P-605394580 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-590888829 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-577174617 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-861533543 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-575337023 | EvoBlocks | In-stock Building Blocks | 95 | Main component | in stock |
| P-862067492 | FluoroChem | General BB | N/A | Main component | in stock |
| P-492228111 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-502937439 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-502492194 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-454377248 | Key Organics | Building Blocks | 95 | Main component | 18.119 g |
| P-18690684 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 18.119 g |
| P-852412364 | Matrix Scientific | All | N/A | Main component | in stock |
| P-895276840 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-19678532 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-491181465 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-611605801 | Toronto Research | In stock | 90 | Main component | in stock |
| P-3228762 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 1.025 g |
| P-1890021 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 1.025 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 256.728 |
| logP | 4.5457 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 28.68 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 76.4247 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| 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 |
