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

Specs ID search result

AK-968/37173066 is available in 306 mg

Compound details
MDL #:		MFCD01177522
Formula:		C28 H28 N2 O4 S
Weight:		488.61
Chiral info:		Not available
Name:		3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-(4-hydroxy-3,5-dimethoxybenzylidene)-1,3-thiazolidin-4-one
SMILES:		CCc1ccc(cc1)N=C4N(c2ccc(CC)cc2)C(=O)C(=Cc3cc(OC)c(O)c(c3)OC)S4
InChI^TM:		InChI=1S/C28H28N2O4S/c1-5-18-7-11-21(12-8-18)29-28-30(22-13-9-19(6-2)10-14-22)27(32)25(35-28)17-20-15-23(33-3)26(31)24(16-20)34-4/h7-17,31H,5-6H2,1-4H3
InChIKey^TM:		QQRSPEJGVYOZBP-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		186000 mg/Kg
Chronic LOAEL:		4870 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		0.97

Chemical properties calculations
LogP:	5.33	H-acceptors: 3
LogS:	-7.31	H-donors: 1
tPSA:	96.66 Å²	Rotatable bonds: 7

Purchase 10 mg of AK-968/37173066 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.