MCULE-2383348057
- 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 | 64 USD | 98 | 10 working days | Get Quote |
5 mg | 80 USD | 98 | 10 working days | Get Quote |
10 mg | 109 USD | 98 | 10 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-2383348057.sdf |
SMILES | MCULE-2383348057.smiles |
Standard InChI | MCULE-2383348057.inchi |
InChIKey | MCULE-2383348057.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860619372 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-860613623 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-890017367 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-874644225 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-610977422 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 26.9 g |
P-851649270 | AmBeed | On request | N/A | As is | by synthesis |
P-489132431 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-873299233 | Angene | Building Blocks in stock | 97 | As is | 5 g |
P-889776130 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590931507 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-887171549 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-870647338 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-505493477 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-503866341 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-524185743 | Key Organics | Building Blocks | 97 | As is | 10 g |
P-524163119 | Key Organics | Building Blocks | 98 | As is | 100 g |
P-856005649 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
P-856007399 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-856045377 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-31189351 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-869030035 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-856068576 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 7.77 g |
P-19518862 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502366207 | TimTec | Building Block Collection | 90 | As is | in stock |
P-886895624 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 371.426 |
logP | 4.1769 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 10 |
PSA | 84.86 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 102.3215 |
Atoms | 52 |
Rings | 2 |
Heavy atoms | 27 |
Hydrogen atoms | 25 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |