MCULE-5769237459
- 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 | 18 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-5769237459.sdf |
SMILES | MCULE-5769237459.smiles |
Standard InChI | MCULE-5769237459.inchi |
InChIKey | MCULE-5769237459.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867317523 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-577214090 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-492273252 | Eximed | Building Block Catalog | 95 | As is | 1.175 g |
P-428629739 | Eximed | In-stock screening compounds | 90 | As is | 1.175 g |
P-502507646 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-502939352 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492231493 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-488552283 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13787907 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596588107 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-674896848 | Otava | In-House Stock Library | 90 | As is | 1.175 g |
P-620226961 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.175 g |
P-454369818 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-13932144 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-856066363 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1.175 g |
P-19676488 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33966704 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-873232765 | TimTec | Building Block Collection | 90 | As is | in stock |
P-3228010 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.024 g |
P-2760502 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.024 g |
Property | Value |
---|---|
Components | 1 |
Mass | 239.174 |
logP | 1.3643 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 59.3 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 55.9648 |
Atoms | 24 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 7 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |