C126-0080 Screening compound: N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide

C126-0080 Screening compound: N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide
C126-0080 Screening compound: N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C126-0080
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C126-0080

Molecular Formula

C22H22F3N3O (C22 H22 F3 N3 O)

Compound Name

N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide

SMILES

CCN(CC)c1cc(C)c(cc(cc2)NC(c3cccc(C(F)(F)F)c3)=O)c2n1

InChI

InChI=1S/C22H22F3N3O/c1-4-28(5-2)20-11-14(3)18-13-17(9-10-19(18)27-20)26-21(29)15-7-6-8-16(12-15)22(23,24)25/h6-13H,4-5H2,1-3H3,(H,26,29)

InChI Key

LUCNVXJLRSKUAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.021

Distribution Coefficient, logD

6.013

Water Solubility, LogSw

-5.70

Polar Surface Area

33.860

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C126-0080 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C126-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C126-0080?
Check Price and Availability of C126-0080, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C126-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C126-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C126-0080
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C126-0080 available by request