MCULE-1377676938
- 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 | 13 USD | 98 | 11 working days | Get Quote |
5 mg | 13 USD | 98 | 11 working days | Get Quote |
10 mg | 13 USD | 98 | 11 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-1377676938.sdf |
SMILES | MCULE-1377676938.smiles |
Standard InChI | MCULE-1377676938.inchi |
InChIKey | MCULE-1377676938.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867639599 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875804775 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-881661467 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-590374835 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-868609234 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580302120 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862121871 | FluoroChem | General BB | 98 | As is | in stock |
P-870661146 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-588709189 | Key Organics | Building Blocks | 97 | As is | unavailable |
P-31251646 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-650823773 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-855135074 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 205.339 |
logP | 4.0932 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 7 |
PSA | 3.24 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 69.491 |
Atoms | 38 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 23 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |