MCULE-6573063092
- 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 | 35 USD | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-6573063092.sdf |
SMILES | MCULE-6573063092.smiles |
Standard InChI | MCULE-6573063092.inchi |
InChIKey | MCULE-6573063092.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852081058 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889910621 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-615714255 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-580217830 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-19940313 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436448400 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851477701 | AmBeed | On request | N/A | As is | by synthesis |
P-869398569 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590803142 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454697376 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861535281 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34828273 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-855970625 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-888159696 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852398544 | Matrix Scientific | All | N/A | As is | in stock |
P-895672610 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23898339 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22807957 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-873218816 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888573549 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611602956 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 215.700 |
logP | 2.6588 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 54.4 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 57.2717 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 2 |
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 |