MCULE-6095892508
- 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 | 18 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-6095892508.sdf |
SMILES | MCULE-6095892508.smiles |
Standard InChI | MCULE-6095892508.inchi |
InChIKey | MCULE-6095892508.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867418341 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-492225973 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-488552824 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13809344 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596588114 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-613319919 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-454370109 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-445301696 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-19649904 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33982846 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502386470 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855273198 | Toronto Research | In stock | 90 | As is | in stock |
P-3228022 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.008 g |
P-2763899 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.008 g |
Property | Value |
---|---|
Components | 1 |
Mass | 261.116 |
logP | 2.2563 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 54.98 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 56.8372 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |