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

Specs ID search result

AK-968/41169601 is available in 84 mg

Compound details
MDL #:		MFCD03074091
Formula:		C19 H23 N5 O4 S
Weight:		417.49
Chiral info:		Not available
Name:		ethyl 5-[({3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}amino)carbonyl]-1-methyl-1H-pyrazole-3-carboxylate
SMILES:		CCOC(=O)c2cc(C(=O)Nc1c(C#N)c(C)c(C(=O)N(CC)CC)s1)n(C)n2
InChI^TM:		InChI=1S/C19H23N5O4S/c1-6-24(7-2)18(26)15-11(4)12(10-20)17(29-15)21-16(25)14-9-13(22-23(14)5)19(27)28-8-3/h9H,6-8H2,1-5H3,(H,21,25)
InChIKey^TM:		YCULHSNTBFIGMB-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		3410 mg/Kg
Chronic LOAEL:		3 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	2.46	H-acceptors: 9
LogS:	-4.61	H-donors: 1
tPSA:	145.56 Å²	Rotatable bonds: 10

Purchase 10 mg of AK-968/41169601 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.