MCULE-4805269713
- 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 | 23 USD | N/A | 9 working days | Get Quote |
5 mg | 23 USD | N/A | 9 working days | Get Quote |
10 mg | 23 USD | N/A | 9 working days | Get Quote |
- 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-4805269713.sdf |
SMILES | MCULE-4805269713.smiles |
Standard InChI | MCULE-4805269713.inchi |
InChIKey | MCULE-4805269713.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867584844 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875742641 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590366019 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-903072881 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 50 g |
P-893554926 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 338.91 g |
P-606901806 | AmBeed | In stock | N/A | As is | in stock |
P-596988680 | Angene | Building Blocks in stock | 98 | As is | 50 g |
P-864175481 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-890246760 | BLD pharm | In-stock building blocks | 98 | As is | 1.872 g |
P-893621307 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580433432 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-901370082 | FluoroChem | In Stock BB | N/A | As is | 2 g |
P-454400898 | Key Organics | Building Blocks | 97 | As is | 3.25 g |
P-454317244 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-852451638 | Matrix Scientific | All | N/A | As is | in stock |
P-895225517 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-500398444 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-22855300 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-873223120 | TimTec | Building Block Collection | 90 | As is | in stock |
P-596714067 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 200 mg |
P-615408334 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 230.215 |
logP | 2.4633 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 63.6 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.4063 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |