MCULE-5726017735
- 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 | 98 | 20 working days | Get Quote |
5 mg | 7 USD | 98 | 20 working days | Get Quote |
10 mg | 7 USD | 98 | 20 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-5726017735.sdf |
SMILES | MCULE-5726017735.smiles |
Standard InChI | MCULE-5726017735.inchi |
InChIKey | MCULE-5726017735.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867579023 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875738919 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590368069 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893576969 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 148.52 g |
P-851949337 | AmBeed | In stock | N/A | As is | in stock |
P-489160330 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596992632 | Angene | Building Blocks in stock | 98 | As is | 45 g |
P-866727616 | Apollo Scientific | In Stock | 95 | As is | 267 g |
P-864120386 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-608391318 | BLD pharm | In-stock building blocks | 95 | As is | 1000 mg |
P-868612875 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580271388 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-901377855 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
P-588712276 | Key Organics | Building Blocks | 97 | As is | 5 g |
P-855998697 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-608099686 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-31227838 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-580499903 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
P-852376641 | Matrix Scientific | All | N/A | As is | in stock |
P-863699174 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-500389962 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-889881146 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502406357 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611362579 | Toronto Research | In stock | 90 | As is | in stock |
P-615416057 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 242.553 |
logP | 3.1961 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 43.3713 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 3 |
Heteroatoms | 7 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 5 |
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 |