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

Specs ID search result

AG-690/36811036 is available in 63 mg

Compound details
MDL #:		MFCD00785189
Formula:		C25 H23 N5 O3
Weight:		441.49
Chiral info:		Not available
Name:		2-[2-nitro-5-(4-methyl-1-piperazinyl)phenyl]-4-phenyl-1(2H)-phthalazinone
SMILES:		CN1CCN(CC1)c2ccc(c(c2)N4N=C(c3ccccc3)c5ccccc5(C4(=O)))[N+](=O)[O-]
InChI^TM:		InChI=1S/C25H23N5O3/c1-27-13-15-28(16-14-27)19-11-12-22(30(32)33)23(17-19)29-25(31)21-10-6-5-9-20(21)24(26-29)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3
InChIKey^TM:		PLHTVUFOHHOCSF-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		284 mg/Kg
Chronic LOAEL:		15.9 mg/Kg
AMES Mutagenicity:		0.98
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	3.86	H-acceptors: 5
LogS:	-6.11
tPSA:	82.29 Å²	Rotatable bonds: 4

Purchase 10 mg of AG-690/36811036 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.