C095-0336 Screening compound: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide

C095-0336 Screening compound: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide
C095-0336 Screening compound: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0336
N-[2-(4-ethylpiperazin-1-yl)-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

C095-0336

Molecular Formula

C24H25F3N4O (C24 H25 F3 N4 O)

Compound Name

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(c3cccc(C(F)(F)F)c3)=O)c2n1

InChI

InChI=1S/C24H25F3N4O/c1-3-30-9-11-31(12-10-30)22-13-16(2)20-15-19(7-8-21(20)29-22)28-23(32)17-5-4-6-18(14-17)24(25,26)27/h4-8,13-15H,3,9-12H2,1-2H3,(H,28,32)

InChI Key

BNXZTKURBIUJKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.455

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-5.65

Polar Surface Area

38.113

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C095-0336 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Lipid Metabolism Library (9174 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C095-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0336?
Check Price and Availability of C095-0336, 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 C095-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0336
  • 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 C095-0336 available by request