MCULE-7929907231
- 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 | 102 USD | 95 | 25 working days | Get Quote |
5 mg | 102 USD | 95 | 25 working days | Get Quote |
10 mg | 102 USD | 95 | 25 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-5791337047
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7929907231.sdf |
SMILES | MCULE-7929907231.smiles |
Standard InChI | MCULE-7929907231.inchi |
InChIKey | MCULE-7929907231.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851495844 | AmBeed | On request | N/A | As is | by synthesis |
P-611161392 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-895565540 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-886662329 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-889965322 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-869327051 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851650505 | AmBeed | On request | N/A | As a main component | by synthesis |
P-889817775 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-611096360 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-854845853 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-611450841 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893783008 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 235.351 |
logP | 3.8018 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 72.08 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 70.7524 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 17 |
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 |