MCULE-6929018735
- 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 | 117 USD | 95 | 34 working days | Get Quote |
5 mg | 117 USD | 95 | 34 working days | Get Quote |
10 mg | 117 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-6929018735.sdf |
SMILES | MCULE-6929018735.smiles |
Standard InChI | MCULE-6929018735.inchi |
InChIKey | MCULE-6929018735.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860652953 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-881620497 | AmBeed | On request | N/A | As is | by synthesis |
P-890228275 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-893236418 | Biosynth | In Stock | 95 | As is | in stock |
P-861342172 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580274549 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-872788045 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23118956 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-855215466 | Toronto Research | In stock | 90 | As is | in stock |
P-886933647 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 237.339 |
logP | 4.5651 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 4.93 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 80.57 |
Atoms | 37 |
Rings | 3 |
Heavy atoms | 18 |
Hydrogen atoms | 19 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |