MCULE-3568226634
- 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 | 36 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 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.
-
MCULE-3611921398
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3568226634.sdf |
SMILES | MCULE-3568226634.smiles |
Standard InChI | MCULE-3568226634.inchi |
InChIKey | MCULE-3568226634.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867308110 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-615717528 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-901457181 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-454696759 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-34646884 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-502537563 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-892816130 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852398291 | Matrix Scientific | All | N/A | As is | in stock |
P-854909064 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12465472 | Otava | In-House Stock Library | 90 | As is | 4.967 g |
P-492277649 | Otava | Chemical Building Blocks for Prompt Delivery | 97 | As is | 4.967 g |
P-23958562 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-859998075 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502382243 | TimTec | Building Block Collection | 90 | As is | in stock |
P-596710998 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 15 mg |
P-611605956 | Toronto Research | In stock | 90 | As is | in stock |
P-25623569 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.41 g |
P-3237910 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.41 g |
P-855372324 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As a main component | 1.5 g |
Property | Value |
---|---|
Components | 1 |
Mass | 220.310 |
logP | 1.7572 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 24.5 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 73.3487 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 20 |
Heteroatoms | 3 |
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 |