K784-9949 Screening compound: 2-(4-ethoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline

K784-9949 Screening compound: 2-(4-ethoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline
K784-9949 Screening compound: 2-(4-ethoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9949
2-(4-ethoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline

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

K784-9949

Molecular Formula

C29H26F3N3O2 (C29 H26 F3 N3 O2)

Compound Name

2-(4-ethoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline

IUPAC name

2-(4-ethoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinoline

SMILES

CCOc(cc1)ccc1-c1nc2ccccc2c(C(N(CC2)CCN2c2cccc(C(F)(F)F)c2)=O)c1

InChI

InChI=1S/C29H26F3N3O2/c1-2-37-23-12-10-20(11-13-23)27-19-25(24-8-3-4-9-26(24)33-27)28(36)35-16-14-34(15-17-35)22-7-5-6-21(18-22)29(30,31)32/h3-13,18-19H,2,14-17H2,1H3

InChI Key

VBRPVWHJICNLLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03391553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.586

Distribution Coefficient, logD

6.586

Water Solubility, LogSw

-6.03

Polar Surface Area

35.330

Acid Dissociation Constant (pKa)

28.27

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K784-9949 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with K784-9949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9949?
Check Price and Availability of K784-9949, 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 K784-9949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9949
  • 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 K784-9949 available by request