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

Specs ID search result

AF-399/40862958 is available in 9 mg

Compound details
Formula:		C21 H15 F N2 O S2
Weight:		394.49
Chiral info:		Not available
Name:		1-(4-fluorophenyl)-2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
SMILES:		Cc3c(c1ccccc1)c2c(ncnc2s3)SCC(=O)c4ccc(F)cc4
InChI^TM:		InChI=1S/C21H15FN2OS2/c1-13-18(15-5-3-2-4-6-15)19-20(23-12-24-21(19)27-13)26-11-17(25)14-7-9-16(22)10-8-14/h2-10,12H,11H2,1H3
InChIKey^TM:		UOFFYBFFCGWWCP-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1470 mg/Kg
Chronic LOAEL:		50 mg/Kg
Developmental Toxicity Potential:		0.13

Chemical properties calculations
LogP:	5.34	H-acceptors: 3
LogS:	-6.64
tPSA:	96.39 Å²	Rotatable bonds: 5

Purchase 10 mg of AF-399/40862958 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.