MCULE-2256927422
- 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 | 49 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-2256927422.sdf |
SMILES | MCULE-2256927422.smiles |
Standard InChI | MCULE-2256927422.inchi |
InChIKey | MCULE-2256927422.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-504686538 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-22006015 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
P-125518 | Chemical Block | Screening Library | 90 | As is | 30 mg |
P-34676776 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-35162102 | Maybridge | Screening Collection | 90 | As is | 569 g |
P-24030091 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22581634 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-873036336 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 5 mg |
P-2350552 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 25 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 204.225 |
logP | 1.5847 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 49.41 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 63.7247 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
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 |