MCULE-8968593621
- 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 | 45 USD | 90 | 21 working days | Get Quote |
5 mg | 53 USD | 95 | 7 working days | Get Quote |
10 mg | 53 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.
-
MCULE-8339047019
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8968593621.sdf |
SMILES | MCULE-8968593621.smiles |
Standard InChI | MCULE-8968593621.inchi |
InChIKey | MCULE-8968593621.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867616359 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875777289 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894634424 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851600928 | AmBeed | On request | N/A | As is | by synthesis |
P-873293200 | Angene | Building Blocks in stock | 97 | As is | 5 g |
P-866722322 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889773796 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-590941263 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-887323160 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580294578 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889374238 | FluoroChem | General BB | 95 | As is | in stock |
P-563681753 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-854911390 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12390444 | Otava | In-House Stock Library | 90 | As is | 1.902 g |
P-492274229 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.902 g |
P-23544833 | Specs | Screening Compounds | 90 | As is | 12 mg |
P-611482356 | Toronto Research | In stock | 90 | As is | in stock |
P-886901637 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-867614770 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-875775098 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-894622239 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-610976096 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 21.6 g |
P-851453710 | AmBeed | On request | N/A | As a main component | by synthesis |
P-494408303 | Apollo Scientific | On request | 95 | As a main component | by resynthesis (? - ? days) |
P-494301610 | BioBlocks | In stock | 95 | As a main component | in stock |
P-861485616 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-854929669 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-893746334 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 235.322 |
logP | 2.5747 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 30.49 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 73.0297 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 21 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |