MCULE-5935232794-1
- 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 | 33 USD | 90 | 23 working days | Get Quote |
5 mg | 54 USD | 90 | 23 working days | Get Quote |
10 mg | 63 USD | 95 | 34 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-5935232794-1.sdf |
SMILES | MCULE-5935232794-1.smiles |
Standard InChI | MCULE-5935232794-1.inchi |
InChIKey | MCULE-5935232794-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-619932607 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-449240440 | ChemDiv | Discovery Chemistry Library | 90 | As is | 21 mg |
P-861530765 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-569191361 | Eximed | In-stock screening compounds | 90 | As is | 2.25 g |
P-569433681 | Eximed | Building Block Catalog | 95 | As is | 2.25 g |
P-896536614 | FluoroChem | In Stock BB | 97 | As is | 6 g |
P-675217415 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-492246790 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502968634 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-563666603 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-852432884 | Matrix Scientific | All | N/A | As is | in stock |
P-492280742 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.25 g |
P-34031915 | Otava | In-House Stock Library | 90 | As is | 2.25 g |
P-856065687 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 2.25 g |
P-19557674 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-872752072 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 189.239 |
logP | 2.2012 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 73.66 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 52.6527 |
Atoms | 20 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 7 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |