MCULE-9691838506
- 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 | 48 USD | 95 | 21 working days | Get Quote |
10 mg | 48 USD | 95 | 21 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-9691838506.sdf |
SMILES | MCULE-9691838506.smiles |
Standard InChI | MCULE-9691838506.inchi |
InChIKey | MCULE-9691838506.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886603778 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889923888 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-612939197 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-596469892 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596518465 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-861399074 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-492220072 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502783643 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-852387534 | Matrix Scientific | All | N/A | As is | in stock |
P-854843711 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492283920 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.94 g |
P-12867934 | Otava | In-House Stock Library | 90 | As is | 1.94 g |
P-856065594 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1.2 g |
P-19156836 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888666614 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-23335562 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502338799 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611610654 | Toronto Research | In stock | 90 | As is | in stock |
P-1022348 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 236 mg |
P-893800645 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 228.670 |
logP | 2.892 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 59.1028 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 13 |
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 |