MCULE-3544539281
- 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 | 35 USD | 95 | 10 working days | Get Quote |
5 mg | 35 USD | 95 | 10 working days | Get Quote |
10 mg | 35 USD | 95 | 10 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-2246816327
- Component type: Main
-
MCULE-6220237355
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3544539281.sdf |
SMILES | MCULE-3544539281.smiles |
Standard InChI | MCULE-3544539281.inchi |
InChIKey | MCULE-3544539281.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867292869 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-894625251 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851774572 | AmBeed | On request | N/A | As is | by synthesis |
P-864233139 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591086509 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-861513931 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-854952958 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611587698 | Toronto Research | In stock | 90 | As is | in stock |
P-867670629 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-875844520 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-869352842 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851418016 | AmBeed | On request | N/A | As a main component | by synthesis |
P-851478005 | AmBeed | On request | N/A | As a main component | by synthesis |
P-864124813 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-590745275 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-611047731 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-616227389 | ChemBridge | Building Block Library | 95 | As a main component | in stock |
P-4156658 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 100 mg |
P-868570646 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-862098256 | FluoroChem | General BB | 95 | As a main component | in stock |
P-855951670 | Key Organics | Building Blocks | 95 | As a main component | 1000 mg |
P-563494631 | Key Organics | Building Blocks | 95 | As a main component | 250 mg |
P-895676649 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-893668073 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 190.284 |
logP | 2.2443 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 15.27 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 63.8177 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 18 |
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 |