Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2579189406
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 | 7 USD | 97 | 20 working days | Get Quote |
| 5 mg | 7 USD | 97 | 20 working days | Get Quote |
| 10 mg | 7 USD | 97 | 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-2579189406.sdf |
| SMILES | MCULE-2579189406.smiles |
| Standard InChI | MCULE-2579189406.inchi |
| InChIKey | MCULE-2579189406.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867578449 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875737912 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597013468 | AEchem | Building blocks | 97 | As is | in stock |
| P-869191876 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-535623004 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-436478734 | Alinda | Building Blocks | 95 | As is | 20 g |
| P-606940931 | AmBeed | In stock | N/A | As is | in stock |
| P-489125299 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596951723 | Angene | Building Blocks in stock | 97 | As is | 173 g |
| P-596518350 | Asinex | General bb catalog | 90 | As is | 41 mg |
| P-596467955 | Asinex | General screening catalog | 90 | As is | 41 mg |
| P-864133155 | AstaTech | In Stock BBs | 96 | As is | in stock |
| P-584630312 | BLD pharm | In-stock building blocks | 97 | As is | 47.25 g |
| P-454739412 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868649864 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580294513 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861974660 | FluoroChem | General BB | N/A | As is | in stock |
| P-890217880 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590340313 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-580035952 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502476063 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-563656986 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-856006660 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-615205026 | Life Chemicals | Screening Compounds | 90 | As is | 125 mg |
| P-852387988 | Matrix Scientific | All | N/A | As is | in stock |
| P-854739582 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-492284717 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 8.7 g |
| P-12914600 | Otava | In-House Stock Library | 90 | As is | 8.7 g |
| P-579714805 | Paragos | In-stock compounds | N/A | As is | in stock |
| P-19515738 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491073777 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596749106 | Synthonix | In-stock Building Blocks | 97 | As is | 189.25 g |
| P-502334693 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611408994 | Toronto Research | In stock | 90 | As is | in stock |
| P-480284783 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 206.280 |
| logP | 3.0013 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.0638 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
