MCULE-9195505831
- 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 | 47 USD | 90 | 21 working days | Get Quote |
5 mg | 48 USD | 95 | 21 working days | Get Quote |
10 mg | 48 USD | 95 | 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.
-
MCULE-2676815613
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9195505831.sdf |
SMILES | MCULE-9195505831.smiles |
Standard InChI | MCULE-9195505831.inchi |
InChIKey | MCULE-9195505831.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867306575 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889928714 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869328626 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893599584 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 15.166 g |
P-851542278 | AmBeed | On request | N/A | As is | by synthesis |
P-889811067 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-608392780 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-861392211 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862055847 | FluoroChem | General BB | N/A | As is | in stock |
P-601055248 | Life Chemicals | Screening Compounds | 90 | As is | in stock |
P-468062042 | Life Chemicals | Building Blocks | 95 | As is | in stock |
P-852509331 | Matrix Scientific | All | N/A | As is | in stock |
P-13187880 | Otava | In-House Stock Library | 90 | As is | 326 mg |
P-492287024 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 326 mg |
P-888845562 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-855213964 | Toronto Research | In stock | 90 | As is | in stock |
P-893866181 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-675372702 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-637273847 | Otava | Tangible screening compounds | 90 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 234.319 |
logP | 3.6806 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 76.38 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 68.2194 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
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 |