MCULE-7797817338-0
- 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 | 89 USD | 97 | 22 working days | Get Quote |
5 mg | 89 USD | 97 | 22 working days | Get Quote |
10 mg | 89 USD | 97 | 22 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-7797817338-0.sdf |
SMILES | MCULE-7797817338-0.smiles |
Standard InChI | MCULE-7797817338-0.inchi |
InChIKey | MCULE-7797817338-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867534096 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875689083 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874613850 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-851951948 | AmBeed | In stock | N/A | As is | in stock |
P-865901860 | Angene | Building Blocks in stock | 97 | As is | 5 g |
P-864208285 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-666964165 | BLD pharm | In-stock building blocks | 97 | As is | unavailable |
P-888965739 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 90 | As is | 1 mg |
P-870590020 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580435591 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889359235 | FluoroChem | General BB | 97 | As is | in stock |
P-855963354 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-863897220 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-889882820 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-872753715 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 348.351 |
logP | 4.7162 |
H-bond acceptors | 6 |
H-bond donors | 4 |
Rotatable bonds | 6 |
PSA | 98.66 |
RO5 violations | 0 |
RO3 violations | 6 |
Refractivity | 99.448 |
Atoms | 42 |
Rings | 3 |
Heavy atoms | 26 |
Hydrogen atoms | 16 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |