MCULE-2077640125-0
- 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 | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 102 USD | 90 | 22 working days | Get Quote |
10 mg | 130 USD | 90 | 27 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.
-
MCULE-8587295483-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2077640125-0.sdf |
SMILES | MCULE-2077640125-0.smiles |
Standard InChI | MCULE-2077640125-0.inchi |
InChIKey | MCULE-2077640125-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596491551 | Asinex | General bb catalog | 90 | As is | unavailable |
P-654825148 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-888376382 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-892448914 | Asinex | General screening catalog | 90 | As a main component | 10 mg |
P-5553722 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 10 mg |
P-34561111 | Crea-Chim | HTS compounds | 90 | As a main component | by resynthesis (? - ? days) |
P-675080327 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 234.361 |
logP | 1.7088 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 49.0 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 70.656 |
Atoms | 37 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 22 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |