MCULE-2019829986
- 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 | 67 USD | 95 | 25 working days | Get Quote |
5 mg | 72 USD | 98 | 9 working days | Get Quote |
10 mg | 72 USD | 98 | 9 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-2019829986.sdf |
SMILES | MCULE-2019829986.smiles |
Standard InChI | MCULE-2019829986.inchi |
InChIKey | MCULE-2019829986.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867639693 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-875805294 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851779885 | AmBeed | On request | N/A | As is | by synthesis |
P-611212705 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-580302625 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862054471 | FluoroChem | General BB | N/A | As is | in stock |
P-494300551 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
P-18718745 | Key Organics | Screening Compounds and Fragments | 90 | As is | 9.508 g |
P-852550847 | Matrix Scientific | All | N/A | As is | in stock |
P-869076117 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-502332652 | TimTec | Building Block Collection | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 352.033 |
logP | 5.758 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 18.46 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 83.794 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 10 |
Heteroatoms | 6 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
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 |