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AG-690/13706836 is available in 9 mg

Compound details
MDL #:		MFCD02047962
Formula:		C18 H14 Br N3 O4 S
Weight:		448.3
Chiral info:		Not available
Name:		methyl 2-[({[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
SMILES:		COC(=O)c3ccccc3(NC(=O)CSc1nnc(o1)c2ccc(cc2)Br)
InChI^TM:		InChI=1S/C18H14BrN3O4S/c1-25-17(24)13-4-2-3-5-14(13)20-15(23)10-27-18-22-21-16(26-18)11-6-8-12(19)9-7-11/h2-9H,10H2,1H3,(H,20,23)
InChIKey^TM:		VEKUUMHHNNITPW-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		6690 mg/Kg
Chronic LOAEL:		29.9 mg/Kg

Chemical properties calculations
LogP:	3.54	H-acceptors: 6
LogS:	-5.49	H-donors: 1
tPSA:	119.62 Å²	Rotatable bonds: 8

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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.