MCULE-4144551777
- 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 | 40 USD | N/A | 9 working days | Get Quote |
5 mg | 40 USD | N/A | 9 working days | Get Quote |
10 mg | 40 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.
-
MCULE-5501391556
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4144551777.sdf |
SMILES | MCULE-4144551777.smiles |
Standard InChI | MCULE-4144551777.inchi |
InChIKey | MCULE-4144551777.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867458605 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-612935835 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851484578 | AmBeed | On request | N/A | As is | by synthesis |
P-869990302 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590870585 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-852382661 | Matrix Scientific | All | N/A | As is | in stock |
P-895421368 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12508968 | Specs | Screening Compounds | 90 | As is | unavailable |
P-873236900 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22501151 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 28 mg |
P-867670899 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-875844597 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-851520878 | AmBeed | On request | N/A | As a main component | by synthesis |
P-611028941 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-868570080 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-862059626 | FluoroChem | General BB | N/A | As a main component | in stock |
P-855951966 | Key Organics | Building Blocks | 95 | As a main component | 1000 mg |
P-895686876 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-611485583 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893663989 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 245.291 |
logP | 3.515 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 21.26 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 69.9537 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |