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AG-670/15095001 is available in 28 mg

Compound details
MDL #:		MFCD02647541
Formula:		C18 H13 N3 O S
Weight:		319.39
Chiral info:		Not available
Name:		4-{[(4-oxo-6-phenyl-1,4-dihydro-2-pyrimidinyl)sulfanyl]methyl}benzonitrile
SMILES:		N#Cc1ccc(cc1)CSC2=NC(=O)C=C(N2)c3ccccc3
InChI^TM:		InChI=1S/C18H13N3OS/c19-11-13-6-8-14(9-7-13)12-23-18-20-16(10-17(22)21-18)15-4-2-1-3-5-15/h1-10H,12H2,(H,20,21,22)
InChIKey^TM:		QEDVLODTOQLLGO-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		6140 mg/Kg
Chronic LOAEL:		187 mg/Kg

Chemical properties calculations
LogP:	2.67	H-acceptors: 4
LogS:	-4.07	H-donors: 1
tPSA:	90.55 Å²	Rotatable bonds: 4

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.