MCULE-7041694102
- 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 | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-7041694102.sdf |
SMILES | MCULE-7041694102.smiles |
Standard InChI | MCULE-7041694102.inchi |
InChIKey | MCULE-7041694102.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860630604 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894659655 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-580258251 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-4348842 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-893361361 | ChemDiv | Pre-weighted stock BB | 90 | As is | 1000 mg |
P-454749672 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-448680084 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
P-502507228 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-502842146 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492218371 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-596592622 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-588249595 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852603315 | Matrix Scientific | All | N/A | As is | in stock |
P-854791366 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-18927697 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885515508 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33463140 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502353295 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855219267 | Toronto Research | In stock | 90 | As is | in stock |
P-464678657 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.009 g |
P-437952 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.009 g |
Property | Value |
---|---|
Components | 1 |
Mass | 245.069 |
logP | 2.3659 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 52.8515 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 9 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |