MCULE-7026568423-0
- 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 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-7026568423-0.sdf |
SMILES | MCULE-7026568423-0.smiles |
Standard InChI | MCULE-7026568423-0.inchi |
InChIKey | MCULE-7026568423-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867416799 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-874640729 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-34572960 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580769388 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580780295 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-854884465 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23882731 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491134027 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33468201 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502345670 | TimTec | Building Block Collection | 90 | As is | in stock |
P-1235216 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 56 mg |
P-596526803 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 56 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 245.127 |
logP | 4.2665 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 53.16 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 61.6777 |
Atoms | 20 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 6 |
Heteroatoms | 5 |
N/O atoms | 2 |
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 |