MCULE-8913956835
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 19 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-8913956835.sdf |
SMILES | MCULE-8913956835.smiles |
Standard InChI | MCULE-8913956835.inchi |
InChIKey | MCULE-8913956835.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-619338080 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
P-34599116 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-24009796 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22762250 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-3211929 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 42 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 369.374 |
logP | 3.3119 |
H-bond acceptors | 9 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 117.08 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 101.3412 |
Atoms | 46 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 19 |
Heteroatoms | 9 |
N/O atoms | 9 |
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 |