MCULE-8705894070
- 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 | 62 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.
-
MCULE-7730660552
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8705894070.sdf |
SMILES | MCULE-8705894070.smiles |
Standard InChI | MCULE-8705894070.inchi |
InChIKey | MCULE-8705894070.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886667300 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889969655 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869276906 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851548816 | AmBeed | On request | N/A | As is | by synthesis |
P-611119711 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-3546165 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-577168434 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-492219955 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-854855992 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19659239 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33964990 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502354503 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855236469 | Toronto Research | In stock | 90 | As is | in stock |
P-2231836 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.06 g |
P-893820449 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-894618709 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851412809 | AmBeed | On request | N/A | As a main component | by synthesis |
P-611009495 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-854900615 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 297.372 |
logP | 2.8971 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 83.06 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 79.8128 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 19 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |