MCULE-2701214736
- 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 | 150 USD | 95 | 22 working days | Get Quote |
5 mg | 150 USD | 95 | 22 working days | Get Quote |
10 mg | 150 USD | 95 | 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-2701214736.sdf |
SMILES | MCULE-2701214736.smiles |
Standard InChI | MCULE-2701214736.inchi |
InChIKey | MCULE-2701214736.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886662553 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889965264 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869291861 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851563021 | AmBeed | On request | N/A | As is | by synthesis |
P-889818888 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-611065115 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-889318400 | FluoroChem | General BB | N/A | As is | in stock |
P-492218792 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502486311 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-503492624 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-854845701 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-33906914 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502353631 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855235648 | Toronto Research | In stock | 90 | As is | in stock |
P-893745170 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 293.811 |
logP | 2.6544 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 62.83 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 72.426 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 20 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |