MCULE-7845561285
- 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 | 44 USD | 90 | 21 working days | Get Quote |
5 mg | 71 USD | 90 | 21 working days | Get Quote |
10 mg | 85 USD | 90 | 21 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-4789457272
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7845561285.sdf |
SMILES | MCULE-7845561285.smiles |
Standard InChI | MCULE-7845561285.inchi |
InChIKey | MCULE-7845561285.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886674135 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889976162 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869315249 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851411861 | AmBeed | On request | N/A | As is | by synthesis |
P-889806266 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-611106810 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-861395784 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-895408837 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-629106358 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-611485496 | Toronto Research | In stock | 90 | As is | in stock |
P-893755927 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-563700199 | Key Organics | Building Blocks | 97 | As a main component | 50 mg |
P-869072096 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-492276252 | Otava | Chemical Building Blocks for Prompt Delivery | 99 | As a main component | 5.668 g |
P-26395243 | Otava | In-House Stock Library | 90 | As a main component | 5.668 g |
P-896348265 | Specs | Screening Compounds | 90 | As a main component | 20 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 248.320 |
logP | 1.3263 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 41.57 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 78.3557 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 20 |
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 |