Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7779880513
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 | 9 USD | 99 | 20 working days | Get Quote |
| 5 mg | 9 USD | 99 | 20 working days | Get Quote |
| 10 mg | 9 USD | 99 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-7779880513.sdf |
| SMILES | MCULE-7779880513.smiles |
| Standard InChI | MCULE-7779880513.inchi |
| InChIKey | MCULE-7779880513.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867667794 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875835814 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-588247029 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851926025 | AmBeed | In stock | N/A | As is | in stock |
| P-865927633 | Angene | Building Blocks in stock | 99 | As is | 4.5 kg |
| P-864151360 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-4309894 | ChemBridge | EXPRESS-Pick Collection | 85 | As is | 100 mg |
| P-868615343 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889309589 | FluoroChem | General BB | N/A | As is | in stock |
| P-500417143 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-855913225 | Key Organics | Building Blocks | 97 | As is | 100 g |
| P-579626292 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31138804 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-856041599 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-869096679 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-872671080 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-18925366 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889866023 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892261205 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892342648 | TargetMol | Screening Compounds - stock amount | 95 | As is | 19.606 g |
| P-502332990 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855134947 | Toronto Research | In stock | 90 | As is | in stock |
| P-428474 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 78 mg |
| P-868492445 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 278.350 |
| logP | 2.6408 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 82.92 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 78.5574 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| 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 |
