MCULE-6917504231
- 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 | 65 USD | 95 | 34 working days | Get Quote |
5 mg | 65 USD | 95 | 34 working days | Get Quote |
10 mg | 65 USD | 95 | 34 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-6917504231.sdf |
SMILES | MCULE-6917504231.smiles |
Standard InChI | MCULE-6917504231.inchi |
InChIKey | MCULE-6917504231.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867635558 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875800652 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615718172 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-580216767 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-436463223 | Alinda | Building Blocks | 95 | As is | in stock |
P-851496426 | AmBeed | On request | N/A | As is | by synthesis |
P-492267269 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454719945 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861533805 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-855974630 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852433846 | Matrix Scientific | All | N/A | As is | in stock |
P-854926583 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-519990457 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502423973 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611600696 | Toronto Research | In stock | 90 | As is | in stock |
P-893666211 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 211.686 |
logP | 2.9438 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.2897 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |