MCULE-2539227584
- 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 | 104 USD | 90 | 27 working days | Get Quote |
5 mg | 117 USD | 90 | 27 working days | Get Quote |
10 mg | 137 USD | 90 | 27 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-2539227584.sdf |
SMILES | MCULE-2539227584.smiles |
Standard InChI | MCULE-2539227584.inchi |
InChIKey | MCULE-2539227584.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867371394 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-901294777 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894630106 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893561643 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 32.7 g |
P-580214116 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-851807853 | AmBeed | On request | N/A | As is | by synthesis |
P-881116061 | Angene | Building Blocks in stock | 95 | As is | 17 g |
P-869407503 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591104535 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-861405837 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862079285 | FluoroChem | General BB | N/A | As is | in stock |
P-502902269 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492226247 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-860792356 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
P-854823769 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-856069689 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1000 mg |
P-19698634 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-535719353 | Rieke Metals | Natural Compounds | N/A | As is | in stock |
P-33969982 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-886928770 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 154.181 |
logP | 2.1874 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 20.23 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 42.3008 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 11 |
Heteroatoms | 2 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |