MCULE-3641149782
- 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 | 89 USD | 90 | 17 working days | Get Quote |
5 mg | 97 USD | 90 | 17 working days | Get Quote |
10 mg | 102 USD | N/A | 35 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.
-
1
MCULE-5728234189
- Component type: Main
-
1
MCULE-7981253226
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3641149782.sdf |
SMILES | MCULE-3641149782.smiles |
Standard InChI | MCULE-3641149782.inchi |
InChIKey | MCULE-3641149782.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-505494022 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-852177393 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-867492498 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-853435866 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851477411 | AmBeed | On request | N/A | Main component | by synthesis |
P-881618749 | AmBeed | On request | N/A | Main component | by synthesis |
P-454677308 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
P-874589204 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 8 mg |
P-519893643 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-869107838 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
P-888626869 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
P-873212881 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-872993379 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 47 mg |
P-893617842 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 15.299 g |
P-34677119 | Crea-Chim | HTS compounds | 90 | Main component as a main component | unavailable |
P-901411627 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
P-873244829 | Key Organics | Building Blocks | 97 | Main component as a main component | 100 mg |
P-904211660 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
P-904243790 | TargetMol | In Stock BB | 95 | Main component as a main component | unavailable |
P-904228766 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | 85 mg |
P-502440590 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 398.433 |
logP | 0.6203 |
H-bond acceptors | 9 |
H-bond donors | 4 |
Rotatable bonds | 7 |
PSA | 175.97 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 107.6242 |
Atoms | 49 |
Rings | 2 |
Heavy atoms | 27 |
Hydrogen atoms | 22 |
Heteroatoms | 10 |
N/O atoms | 9 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |