MCULE-6322081154
- 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-6322081154.sdf |
SMILES | MCULE-6322081154.smiles |
Standard InChI | MCULE-6322081154.inchi |
InChIKey | MCULE-6322081154.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852097072 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-890156626 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615711496 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-20012933 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436447564 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851579814 | AmBeed | On request | N/A | As is | by synthesis |
P-590822064 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-5196962 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
P-454694818 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619859007 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-861535511 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34801355 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-861930071 | FluoroChem | General BB | 95 | As is | in stock |
P-596590579 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852397838 | Matrix Scientific | All | N/A | As is | in stock |
P-854925227 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-18845200 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885525619 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12752182 | Specs | Screening Compounds | 90 | As is | 3 mg |
P-22794497 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888492150 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855233186 | Toronto Research | In stock | 90 | As is | in stock |
P-1304601 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.065 g |
P-3235190 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.065 g |
Property | Value |
---|---|
Components | 1 |
Mass | 283.346 |
logP | 4.5183 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 80.56 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 82.9449 |
Atoms | 33 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 13 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |