Specs - Compound Management services and Research Compounds for the Life Science industry

Specs ID search result

AF-399/14218037 is available in 2 mg

Compound details
Formula:		C15 H16 N4 O2
Weight:		284.32
Chiral info:		Not available
Name:		1-[7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILES:		COc1ccc(cc1)C3C(C(C)=O)=C(C)Nc2ncnn23
InChI^TM:		InChI=1S/C15H16N4O2/c1-9-13(10(2)20)14(19-15(18-9)16-8-17-19)11-4-6-12(21-3)7-5-11/h4-8,14H,1-3H3,(H,16,17,18)
InChIKey^TM:		JZHLEVGEMOCQTH-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		460 mg/Kg
Chronic LOAEL:		1130 mg/Kg
AMES Mutagenicity:		0.02

Chemical properties calculations
LogP:	2.33	H-acceptors: 5
LogS:	-3.26	H-donors: 1
tPSA:	69.04 Å²	Rotatable bonds: 3

Purchase 10 mg of AF-399/14218037 for only 20 USD after login to Specs.net! Receive your compounds in clear glass vials within 5 working days after ordering via Specs.net. Please logon to Specs.net using your personal account or register as new user here.

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.