MCULE-2488287866
- 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 | 95 USD | 95 | 7 working days | Get Quote |
5 mg | 211 USD | 95 | 7 working days | Get Quote |
10 mg | 322 USD | 95 | 7 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-2488287866.sdf |
SMILES | MCULE-2488287866.smiles |
Standard InChI | MCULE-2488287866.inchi |
InChIKey | MCULE-2488287866.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867642874 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-901201180 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894673032 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-903168100 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 300 mg |
P-893608904 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 700 mg |
P-899931546 | AmBeed | On request | N/A | As is | by synthesis |
P-489143262 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-895101878 | Angene | Building Blocks in stock | 95 | As is | 300 mg |
P-901882234 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-901471728 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-851306673 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861376205 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-888624430 | Key Organics | Building Blocks | 95 | As is | 1 mg |
P-580475157 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852602549 | Matrix Scientific | All | N/A | As is | in stock |
P-863734987 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-878642695 | Molnova | Stock | 98 | As is | in stock |
P-491411625 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-869163673 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892299842 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888659005 | TargetMol | Screening Compounds - stock amount | 95 | As is | 100 mg |
P-855065606 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 345.318 |
logP | 5.0392 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 54.02 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 88.7354 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 14 |
Heteroatoms | 7 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |