MCULE-2704647488
- 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 | 13 USD | 97 | 11 working days | Get Quote |
5 mg | 13 USD | 97 | 11 working days | Get Quote |
10 mg | 13 USD | 97 | 11 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-5456726511
- Component type: Unknown
-
MCULE-3575868161
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2704647488.sdf |
SMILES | MCULE-2704647488.smiles |
Standard InChI | MCULE-2704647488.inchi |
InChIKey | MCULE-2704647488.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867570782 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875731609 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869186910 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-590396400 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-851753428 | AmBeed | On request | N/A | As is | by synthesis |
P-868612804 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-580301653 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861959568 | FluoroChem | General BB | 95 | As is | in stock |
P-502945777 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-454408319 | Key Organics | Building Blocks | 95 | As is | 499.146 g |
P-454332241 | Key Organics | Screening Compounds and Fragments | 95 | As is | 965 mg |
P-885538399 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-893768521 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893746554 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-590420105 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-489146629 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 114.185 |
logP | 1.5574 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 20.23 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 34.8108 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 8 |
Hydrogen atoms | 14 |
Heteroatoms | 1 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |