Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1921281405
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-1921281405.sdf |
| SMILES | MCULE-1921281405.smiles |
| Standard InChI | MCULE-1921281405.inchi |
| InChIKey | MCULE-1921281405.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867632845 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875797181 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-535624456 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-505392557 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-489126006 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-872728214 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889585772 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893254457 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-4166778 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-868615084 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-900267053 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-870660545 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-502796207 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-524165685 | Key Organics | Building Blocks | 98 | As is | 24.997 g |
| P-855992908 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-31262582 | LaboTest | Screening Collection | 90 | As is | 250 mg |
| P-854718149 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-896628867 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-584618113 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-647118076 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-18959762 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885535119 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-869125018 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888638678 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-611468136 | Toronto Research | In stock | 90 | As is | in stock |
| P-855007381 | Toronto Research | In stock | 90 | As is | in stock |
| P-3243438 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 1.314 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 233.091 |
| logP | 3.1599 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 32.34 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.8667 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| 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 |
