MCULE-8362534875
- 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 | 89 USD | 90 | 17 working days | Get Quote |
5 mg | 97 USD | 90 | 17 working days | Get Quote |
10 mg | 149 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-8362534875.sdf |
SMILES | MCULE-8362534875.smiles |
Standard InChI | MCULE-8362534875.inchi |
InChIKey | MCULE-8362534875.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867625357 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875787493 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590376211 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436452386 | Alinda | Building Blocks | 95 | As is | in stock |
P-425212726 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851785146 | AmBeed | On request | N/A | As is | by synthesis |
P-489178971 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590977493 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454615851 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-3358217 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1.768 g |
P-580436440 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861966020 | FluoroChem | General BB | N/A | As is | in stock |
P-852406457 | Matrix Scientific | All | N/A | As is | in stock |
P-895470429 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873219653 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611590363 | Toronto Research | In stock | 90 | As is | in stock |
P-893662119 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 194.270 |
logP | 2.6775 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 54.9678 |
Atoms | 32 |
Rings | 3 |
Heavy atoms | 14 |
Hydrogen atoms | 18 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |