MCULE-4105442530
- 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 | 39 USD | 95 | 9 working days | Get Quote |
5 mg | 87 USD | 95 | 9 working days | Get Quote |
10 mg | 144 USD | 95 | 9 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.
Name | File |
---|---|
SDF | MCULE-4105442530.sdf |
SMILES | MCULE-4105442530.smiles |
Standard InChI | MCULE-4105442530.inchi |
InChIKey | MCULE-4105442530.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886595066 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890153459 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874630338 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-893453268 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 525 mg |
P-891656345 | AmBeed | On request | N/A | As is | by synthesis |
P-895097875 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
P-887183237 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-868658451 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-873243426 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-863724089 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-888169574 | Molnova | On demand | 98 | As is | by synthesis |
P-869137158 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892292364 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888645086 | TargetMol | Screening Compounds - stock amount | 95 | As is | 845 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 299.706 |
logP | 3.959 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 70.42 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 81.1713 |
Atoms | 31 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 10 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |