MCULE-7563744257
- 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 | 298 USD | 95 | 25 working days | Get Quote |
5 mg | 298 USD | 95 | 25 working days | Get Quote |
10 mg | 298 USD | 95 | 25 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-1080257690
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7563744257.sdf |
SMILES | MCULE-7563744257.smiles |
Standard InChI | MCULE-7563744257.inchi |
InChIKey | MCULE-7563744257.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886604773 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889924416 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869372008 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893572133 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 16.7 g |
P-896026392 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-577179429 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-855938391 | Key Organics | Building Blocks | 95 | As is | 50 mg |
P-854885124 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611579644 | Toronto Research | In stock | 90 | As is | in stock |
P-893719639 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-886796274 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-890078309 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-893758691 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 179.234 |
logP | 2.449 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 55.1967 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 14 |
Heteroatoms | 2 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |