Table 4:

Solubility and cLogP of Compounds Indicating the Effect of Adding the Nitrogen Atom to the A- or D-Ring^a

Compound	cLogPe	Solubility (μM) in DI Water, pH = 7f	Solubility (μM) in 0.01M HCl, pH = 2f
8a	2.76	24.3 ± 3.8	27.8 ± 0.9
13ab	2.17	67.2 ± 7.9	115.4 ± 14.9
13ib	2.28	103.7 ± 28.5	135.9 ± 2.9
8i	3.56	6.8 ± 0.3	2.6 ± 0.2
8kc	3.56	6.4 ± 0.5	8.5 ± 1.9
13ec	2.93	0.8 ± 0.1	0.9 ± 0.2
8n	3.71	8.3 ± 0.2	3.3 ± 0.1
13gd	3.08	7.3 ± 0.2	7.2 ± 0.4

^aSolubility experiments performed in water at pH = 7 and pH =2 to mimic physiological and gastrointestinal conditions and to examine the impact of N-hetero substitution on hydrogen chloride salt formation.

^b8a related analogs in red.

^c8i related analogs in blue.

^d8n related analogs in green.

^ecLogP values calculated using ChemBioDraw^® Ultra (ver.13.0.0.3015).

^fCalculated using an LCMS. n = 3