MCULE-9172302162
- 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 | 50 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-9172302162.sdf |
SMILES | MCULE-9172302162.smiles |
Standard InChI | MCULE-9172302162.inchi |
InChIKey | MCULE-9172302162.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886298111 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-890058464 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869515863 | Asinex | General screening catalog | 90 | As is | 2 mg |
P-427963637 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-503085086 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-502612725 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12784279 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-13129681 | Otava | In-House Stock Library | 90 | As is | 345 mg |
P-18847004 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12363912 | Specs | Screening Compounds | 90 | As is | 311 mg |
P-33455669 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-24764240 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 35 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 262.376 |
logP | 2.0628 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 60.5 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 83.607 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 18 |
Hydrogen atoms | 18 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |