MCULE-8118778621
- 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 | 34 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-8118778621.sdf |
SMILES | MCULE-8118778621.smiles |
Standard InChI | MCULE-8118778621.inchi |
InChIKey | MCULE-8118778621.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886220744 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-34861803 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-4713061 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-584552992 | ChemDiv | Discovery Chemistry Library | 90 | As is | 14 mg |
P-157521 | Chemical Block | Screening Library | 90 | As is | 73 mg |
P-34682738 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-14722604 | Life Chemicals | Screening Compounds | 90 | As is | 156 mg |
P-655312147 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-19632966 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22501470 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 199 mg |
P-1865701 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 286.282 |
logP | 3.3177 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 84.15 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 79.0802 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |