MCULE-4616748332
- 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 | 33 USD | 90 | 23 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-4616748332.sdf |
SMILES | MCULE-4616748332.smiles |
Standard InChI | MCULE-4616748332.inchi |
InChIKey | MCULE-4616748332.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867343693 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889999889 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-436462269 | Alinda | Building Blocks | 95 | As is | in stock |
P-851414203 | AmBeed | On request | N/A | As is | by synthesis |
P-590762741 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-7174272 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-619932595 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-619300861 | ChemDiv | Discovery Chemistry Library | 90 | As is | 20 mg |
P-861537827 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579799044 | Eximed | In-stock screening compounds | 90 | As is | 16.69 g |
P-666692240 | Eximed | In-stock screening compounds | 90 | As is | 20 mg |
P-428628212 | Eximed | In-stock screening compounds | 90 | As is | 420 mg |
P-569433658 | Eximed | Building Block Catalog | 95 | As is | 16.69 g |
P-862066796 | FluoroChem | General BB | N/A | As is | in stock |
P-492246768 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502967647 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-855974351 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852433163 | Matrix Scientific | All | N/A | As is | in stock |
P-854894125 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-34007491 | Otava | In-House Stock Library | 90 | As is | 16.69 g |
P-492274898 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 16.69 g |
P-19016254 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-856067438 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 16.69 g |
P-855310588 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 248.231 |
logP | 1.5225 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 76.74 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 65.338 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |