Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2068992768
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 | 83 USD | 95 | 11 working days | Get Quote |
| 5 mg | 131 USD | 98 | 20 working days | Get Quote |
| 10 mg | 178 USD | 98 | 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-2068992768.sdf |
| SMILES | MCULE-2068992768.smiles |
| Standard InChI | MCULE-2068992768.inchi |
| InChIKey | MCULE-2068992768.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886719378 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-890180157 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-888730942 | AmBeed | In stock | N/A | As is | in stock |
| P-868832573 | Angene | Building Blocks in stock | 98 | As is | 50 mg |
| P-889778227 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-887187191 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580391301 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-870652237 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-504617890 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-873244348 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854712338 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871066302 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888173769 | Molnova | On demand | 98 | As is | by synthesis |
| P-888638540 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869124839 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611481743 | Toronto Research | In stock | 90 | As is | in stock |
| P-886924557 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 339.188 |
| logP | 3.1739 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 96.28 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 80.9778 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
