MCULE-3944921323
- 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 | 68 USD | 90 | 10 working days | Get Quote |
5 mg | 84 USD | 90 | 10 working days | Get Quote |
10 mg | 115 USD | 90 | 10 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.
-
1
MCULE-5908295882
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3944921323.sdf |
SMILES | MCULE-3944921323.smiles |
Standard InChI | MCULE-3944921323.inchi |
InChIKey | MCULE-3944921323.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851448798 | AmBeed | On request | N/A | As is | by synthesis |
P-590775179 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-862261120 | KISHIDA CHEMICAL | K-BB | 95 | As is | 6.99 g |
P-454362276 | Key Organics | Screening Compounds and Fragments | 90 | As is | 98 mg |
P-894016009 | Life Chemicals | Screening Compounds | 90 | As is | 144 mg |
P-895727750 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-860630787 | A2B Chem | Predominantly Building Block on demand | 90 | Main component | by synthesis |
P-889914011 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-853425569 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851716623 | AmBeed | On request | N/A | Main component | by synthesis |
P-591091280 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-454647396 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
P-580306289 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-454359208 | Key Organics | Screening Compounds and Fragments | 90 | Main component | unavailable |
P-895673868 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-856066783 | Princeton Biomolecular Research | Building Block Stock | 95 | Main component | 5.1 g |
P-519953217 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-611443925 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 217.694 |
logP | 2.5774 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 50.95 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 59.8327 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 16 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |