MCULE-4217255862
- 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 | 7 USD | 98 | 20 working days | Get Quote |
5 mg | 7 USD | 98 | 20 working days | Get Quote |
10 mg | 7 USD | 98 | 20 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.
-
1
MCULE-4566208867
- Component type: Main
-
1
MCULE-9925206507
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4217255862.sdf |
SMILES | MCULE-4217255862.smiles |
Standard InChI | MCULE-4217255862.inchi |
InChIKey | MCULE-4217255862.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-881654653 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-889520054 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-893218427 | Biosynth | In Stock | 95 | As is | in stock |
P-855025084 | Toronto Research | In stock | 90 | As is | in stock |
P-867569485 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-875729367 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-580234754 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
P-596930193 | Angene | Building Blocks in stock | 98 | Main component | 1.5 kg |
P-580194851 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
P-864146165 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-893218423 | Biosynth | In Stock | 95 | Main component | in stock |
P-505493964 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
P-505494112 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
P-488543864 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
P-454364723 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
P-500379273 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
P-855354189 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 793.019 |
logP | 2.18288 |
H-bond acceptors | 15 |
H-bond donors | 5 |
Rotatable bonds | 7 |
PSA | 256.5 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 203.959 |
Atoms | 122 |
Rings | 3 |
Heavy atoms | 54 |
Hydrogen atoms | 68 |
Heteroatoms | 16 |
N/O atoms | 15 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 18 |
R/S chiral centers | 18 |
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 |