MCULE-6270037078
- 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 | 64 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-6270037078.sdf |
SMILES | MCULE-6270037078.smiles |
Standard InChI | MCULE-6270037078.inchi |
InChIKey | MCULE-6270037078.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-504721270 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-607709518 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
P-34500029 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-23865420 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22688161 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-1164240 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 50 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 392.519 |
logP | 5.2527 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 91.55 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 114.831 |
Atoms | 52 |
Rings | 5 |
Heavy atoms | 28 |
Hydrogen atoms | 24 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |