MCULE-2842533777
- 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 | 44 USD | 90 | 21 working days | Get Quote |
5 mg | 71 USD | 90 | 21 working days | Get Quote |
10 mg | 85 USD | 90 | 21 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-2842533777.sdf |
SMILES | MCULE-2842533777.smiles |
Standard InChI | MCULE-2842533777.inchi |
InChIKey | MCULE-2842533777.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875782587 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-595216332 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893535622 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 61.7 g |
P-436454806 | Alinda | Building Blocks | 95 | As is | in stock |
P-900258726 | AmBeed | In stock | N/A | As is | in stock |
P-489236688 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-864164463 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590929400 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-619927374 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-868618013 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580376436 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-889315151 | FluoroChem | General BB | 98 | As is | in stock |
P-502930550 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-596572281 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852408989 | Matrix Scientific | All | N/A | As is | in stock |
P-854841018 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-26456371 | Otava | In-House Stock Library | 90 | As is | 100 mg |
P-888872108 | PharmaBlock | In stock | N/A | As is | in stock |
P-873220417 | TimTec | Building Block Collection | 90 | As is | in stock |
P-615391283 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 124.184 |
logP | 1.0763 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 19.03 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 38.2687 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 12 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |