MCULE-6682290567-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-6682290567-0.sdf |
SMILES | MCULE-6682290567-0.smiles |
Standard InChI | MCULE-6682290567-0.inchi |
InChIKey | MCULE-6682290567-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-19960300 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436449415 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851498919 | AmBeed | On request | N/A | As is | by synthesis |
P-590802869 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492248194 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454700832 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861537787 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34490348 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-862038238 | FluoroChem | General BB | 95 | As is | in stock |
P-492217249 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-852399372 | Matrix Scientific | All | N/A | As is | in stock |
P-869021421 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23891653 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885524551 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-22816551 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502352586 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888433229 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611360671 | Toronto Research | In stock | 90 | As is | in stock |
P-1117887 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 537 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 218.281 |
logP | 1.8148 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 82.4 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 60.907 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 10 |
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 |