Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5603349813
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 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-5603349813.sdf |
| SMILES | MCULE-5603349813.smiles |
| Standard InChI | MCULE-5603349813.inchi |
| InChIKey | MCULE-5603349813.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867660772 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875829571 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890253129 | ACS Scientific | Synthesis catalog | 98 | As is | by synthesis |
| P-869272000 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893573978 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3.365 kg |
| P-866096597 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
| P-436462936 | Alinda | Building Blocks | 95 | As is | 20 g |
| P-851938731 | AmBeed | In stock | N/A | As is | in stock |
| P-489182449 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596985799 | Angene | Building Blocks in stock | 98 | As is | 250 g |
| P-494346327 | Apollo Scientific | In Stock | 95 | As is | 1.725 kg |
| P-864131857 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-619928622 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868644532 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580282613 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-861968667 | FluoroChem | General BB | N/A | As is | in stock |
| P-505522160 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-488552440 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-454385248 | Key Organics | Building Blocks | 95 | As is | 25 g |
| P-580474557 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852433699 | Matrix Scientific | All | N/A | As is | in stock |
| P-454369899 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500383204 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-519886602 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885517314 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502372716 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611371311 | Toronto Research | In stock | 90 | As is | in stock |
| P-480852903 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 175.997 |
| logP | 2.114 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 29.96 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 39.4305 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 3 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
