MCULE-6362956028
- 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 | 7 USD | 98 | 8 working days | Get Quote |
5 mg | 7 USD | 98 | 8 working days | Get Quote |
10 mg | 7 USD | 98 | 8 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-6362956028.sdf |
SMILES | MCULE-6362956028.smiles |
Standard InChI | MCULE-6362956028.inchi |
InChIKey | MCULE-6362956028.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867595583 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875754639 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590358481 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-436459363 | Alinda | Building Blocks | 95 | As is | in stock |
P-606943341 | AmBeed | In stock | N/A | As is | in stock |
P-489201702 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596958066 | Angene | Building Blocks in stock | 98 | As is | 100 g |
P-889456032 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-580700129 | BLD pharm | In-stock building blocks | 98 | As is | 16 g |
P-454711113 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868626043 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-889116269 | FluoroChem | In Stock BB | 95 | As is | 4 g |
P-454379007 | Key Organics | Building Blocks | 95 | As is | 4.349 g |
P-524186829 | Key Organics | Building Blocks | 97 | As is | 7.395 g |
P-596546945 | Key Organics | Screening Compounds and Fragments | 97 | As is | 7.395 g |
P-18796826 | Key Organics | Screening Compounds and Fragments | 95 | As is | 4.349 g |
P-852431225 | Matrix Scientific | All | N/A | As is | in stock |
P-874451786 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-492274338 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.499 g |
P-26367567 | Otava | In-House Stock Library | 90 | As is | 1.499 g |
P-868120771 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 68.97 g |
P-23970552 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33229024 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-502329914 | TimTec | Building Block Collection | 90 | As is | in stock |
P-2491637 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.054 g |
P-893980284 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 255.268 |
logP | 2.6332 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 66.4 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 70.504 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 13 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |