MCULE-2226997458-0
- 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 | 5 USD | 98 | 20 working days | Get Quote |
5 mg | 5 USD | 98 | 20 working days | Get Quote |
10 mg | 5 USD | 98 | 20 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-8608561230-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2226997458-0.sdf |
SMILES | MCULE-2226997458-0.smiles |
Standard InChI | MCULE-2226997458-0.inchi |
InChIKey | MCULE-2226997458-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867576621 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875737064 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869191973 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505348067 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-869252356 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-606922440 | AmBeed | In stock | N/A | As is | in stock |
P-596931006 | Angene | Building Blocks in stock | 98 | As is | 10 kg |
P-494320363 | Apollo Scientific | In Stock | 95 | As is | 878 g |
P-864098034 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-481173979 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 157 g |
P-868653181 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580425235 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861917990 | FluoroChem | General BB | 98 | As is | in stock |
P-870656233 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-502509381 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454351447 | Key Organics | Screening Compounds and Fragments | 90 | As is | 314 mg |
P-579612394 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
P-601056607 | Life Chemicals | Screening Compounds | 90 | As is | in stock |
P-601100461 | Life Chemicals | Building Blocks | 95 | As is | in stock |
P-889032693 | Manchester Organics | Compounds on demand | 99 | As is | by synthesis |
P-852526239 | Matrix Scientific | All | N/A | As is | in stock |
P-428093082 | Maybridge | Screening Collection | 90 | As is | 10.572 kg |
P-620223283 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
P-620068208 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-500373833 | Pi Chemicals | Virtual Compounds | 99 | As is | by synthesis |
P-889879687 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596772954 | Synthonix | In-stock Building Blocks | 95 | As is | 25.085 kg |
P-873236363 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611492972 | Toronto Research | In stock | 90 | As is | in stock |
P-667020329 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 112.101 |
logP | 1.5313 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 20.23 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 28.423 |
Atoms | 13 |
Rings | 1 |
Heavy atoms | 8 |
Hydrogen atoms | 5 |
Heteroatoms | 2 |
N/O atoms | 1 |
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 |