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. Author manuscript; available in PMC: 2010 Jul 8.
Published in final edited form as: Bioorg Med Chem Lett. 2009 Jan 27;19(6):1784–1789. doi: 10.1016/j.bmcl.2009.01.069

Table 5.

Physicochemical properties of the benzoate- or the salicylate-based urea compounds

Compound graphic file with name nihms103935u5.jpg Solubility in watera (mg/mL) Mp (°C) Experimental parameters and logP
R1 (para) R2 (meta) Concentrationb (μM) logPc clogPd
Octanol Buffer
13 COOCH3 H 0.4 219–220 2445 <0.3 >3.9 4.3
17 COOH H 10 >300 2720 17 2.2 3.8/−0.5e
27 COOH OH 199 205–206 1641 39 1.6 3.9/−1.1e
28 COOCH3 OH 0.2 212–213 3886 <0.3 >4.1 4.1
a

Solubility in 0.1 M sodium phosphate buffer (pH 7.4) at 23 ± 1.5 °C.

b

Buffer saturated 1-octanol and 0.1 M sodium phosphate buffer (pH 7.4) were used. See Supplementary information in detail.

c

logP value was calculated following the equation; logP = log10 ([conc. of compound]octanol/[conc. of compound]buffer).

d

clogPwas calculated using ChemDraw® software (CambridgeSoft, Cambridge, MA).

e

The clogP of both the acid and base forms of the carboxylic acid are given.