MCULE-4692716107
- 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 | 13 USD | 98 | 11 working days | Get Quote |
5 mg | 13 USD | 98 | 11 working days | Get Quote |
10 mg | 13 USD | 98 | 11 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-4692716107.sdf |
SMILES | MCULE-4692716107.smiles |
Standard InChI | MCULE-4692716107.inchi |
InChIKey | MCULE-4692716107.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867618265 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-867522769 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-875779852 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869193733 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-595218283 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-869248419 | AK Scientific | Building Blocks | N/A | As is | in stock |
P-889839471 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-452650057 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-868611862 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-856021046 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-613275972 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-854693808 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-896629949 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-584617742 | MedKoo | In stock compounds | 95 | As is | in stock |
P-619672483 | Molnova | Stock | 98 | As is | in stock |
P-885558980 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-594273702 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892295310 | TargetMol | In Stock BB | 95 | As is | 1.007 g |
P-892337710 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.007 g |
P-502369125 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611445801 | Toronto Research | In stock | 90 | As is | in stock |
P-611555048 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 390.555 |
logP | 6.433 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 16 |
PSA | 52.6 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 116.299 |
Atoms | 66 |
Rings | 1 |
Heavy atoms | 28 |
Hydrogen atoms | 38 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |