Chem2Cure toolkit
Four tools you will use every week.
Free, no account, nothing to install. Everything runs inside your own browser, so the structures you paste never leave your computer and the tools keep working on a bad connection.
Molecule inspector
Paste a SMILES string and read off the properties a medicinal chemist checks first.
The structure appears here
Molarity and dilution
How much to weigh out, and how to dilute a stock. Leave the value you want blank and it will be worked out for you.
Make a solution
Enter a molecular weight, a concentration and a volume.
Dilute a stock
C1V1 = C2V2. Fill any three.
Units cancel, so use the same unit throughout.
Why this matters
Most failed first experiments are arithmetic, not chemistry. A tenfold slip in a stock concentration looks exactly like an inactive compound.
Check the units before you check the number. The calculation above cancels them for you, but the balance and the pipette will not.
mg/mL to molar
The conversion you need every time a compound arrives as a powder and the assay is written in micromolar.
Type into either box and the other follows.
A habit worth keeping
Record both numbers in your notebook, not one. A concentration in mg/mL means nothing to the next person without the molecular weight, and a micromolar figure means nothing to the person weighing it out.
Yield and limiting reagent
Enter what you put in and what you got out. Stoichiometry is the number of equivalents the balanced equation needs.
Add at least one reagent with a mass and a molecular weight.
Reading the result
The limiting reagent is whichever gives the fewest moles once divided by its equivalents. Everything else is in excess, however much of it you weighed.
A yield above 100 per cent is not a triumph. It means residual solvent, salt, or an impurity that weighs something.
Properties are calculated, not measured. They tell you what a change costs in physical terms; only an assay tells you what it bought.
IC50 curve
Paste your concentrations and responses, one pair per line. A four-parameter curve is fitted and the IC50 read off it.
The curve appears here