MCULE-2719412006
- 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 | 36 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 USD | 90 | 19 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-2719412006.sdf |
SMILES | MCULE-2719412006.smiles |
Standard InChI | MCULE-2719412006.inchi |
InChIKey | MCULE-2719412006.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-612867497 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-901272757 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894619187 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-580215886 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-851516241 | AmBeed | On request | N/A | As is | by synthesis |
P-611057716 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-868569723 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-503960960 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-855948764 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-854952868 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19061907 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855217774 | Toronto Research | In stock | 90 | As is | in stock |
P-3244203 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 317 mg |
P-729336 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 317 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 242.112 |
logP | 3.179 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 58.2277 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |