MCULE-5041437317
- 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 | 88 USD | 95 | 25 working days | Get Quote |
5 mg | 88 USD | 95 | 25 working days | Get Quote |
10 mg | 88 USD | 95 | 25 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-5041437317.sdf |
SMILES | MCULE-5041437317.smiles |
Standard InChI | MCULE-5041437317.inchi |
InChIKey | MCULE-5041437317.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860640005 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-889932747 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869211838 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851757090 | AmBeed | On request | N/A | As is | by synthesis |
P-889814219 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-611078311 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-901465925 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-861392734 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579672151 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-854843168 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-637510652 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-19159859 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33906227 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502350713 | TimTec | Building Block Collection | 90 | As is | in stock |
P-893858988 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 260.742 |
logP | 4.7663 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 53.16 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 74.1737 |
Atoms | 26 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 9 |
Heteroatoms | 4 |
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 |