MCULE-2665641579-0
- 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 | 22 USD | 98 | 22 working days | Get Quote |
5 mg | 22 USD | 98 | 22 working days | Get Quote |
10 mg | 22 USD | 98 | 22 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-2665641579-0.sdf |
SMILES | MCULE-2665641579-0.smiles |
Standard InChI | MCULE-2665641579-0.inchi |
InChIKey | MCULE-2665641579-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867645929 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875812820 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874635969 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-893552556 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 11.78 g |
P-851936112 | AmBeed | In stock | N/A | As is | in stock |
P-865923499 | Angene | Building Blocks in stock | 98 | As is | 5 g |
P-864211548 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-666961063 | BLD pharm | In-stock building blocks | 98 | As is | 850 mg |
P-870584181 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-889435889 | FluoroChem | General BB | 95 | As is | in stock |
P-855959670 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-855401328 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888871781 | PharmaBlock | In stock | N/A | As is | in stock |
P-893991150 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 180.157 |
logP | 1.0258 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 63.6 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 45.732 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 8 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |