MCULE-3957753416
- 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 | 36 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 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.
-
MCULE-9524630149
- Component type: Main
-
MCULE-2336145345
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3957753416.sdf |
SMILES | MCULE-3957753416.smiles |
Standard InChI | MCULE-3957753416.inchi |
InChIKey | MCULE-3957753416.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-855223903 | Toronto Research | In stock | 90 | As is | in stock |
P-867670279 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-901286255 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-894666472 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851764079 | AmBeed | On request | N/A | As a main component | by synthesis |
P-611130405 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-674245600 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 5 mg |
P-868570637 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-34794179 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-864034857 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-875268124 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 5 mg |
P-617746758 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 103 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 255.311 |
logP | 3.4044 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 30.49 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 74.5327 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 19 |
Hydrogen atoms | 17 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |