MCULE-3233813708
- 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 | 224 USD | N/A | 16 working days | Get Quote |
5 mg | 408 USD | N/A | 16 working days | Get Quote |
10 mg | 615 USD | 95 | 27 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-3233813708.sdf |
SMILES | MCULE-3233813708.smiles |
Standard InChI | MCULE-3233813708.inchi |
InChIKey | MCULE-3233813708.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-867633758 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock | September 29, 2022 |
P-613852172 | AK Scientific | Building Blocks | 95 | As is | in stock | September 2, 2020 |
P-869400528 | AstaTech | Backordered BBs | 95 | As is | by synthesis | January 3 |
P-505427890 | BOCSCI | All products | 97 | As is | in stock | July 6, 2017 |
P-861338688 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis | April 2, 2022 |
P-854693216 | MedChemExpress | Natural Products In stock | 95 | As is | in stock | June 6, 2022 |
P-500398841 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis | August 8, 2017 |
P-869165929 | TargetMol | Screening Compounds | N/A | As is | in stock | December 7, 2022 |
P-611369858 | Toronto Research | In stock | 90 | As is | in stock | June 25, 2020 |
Property | Value |
---|---|
Components | 1 |
Mass | 318.234 |
logP | 1.6936 |
H-bond acceptors | 8 |
H-bond donors | 6 |
Rotatable bonds | 1 |
PSA | 151.59 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 80.058 |
Atoms | 33 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 10 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |