G868-0055 Screening compound: N-ethyl-6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}pyrimidin-4-amine

G868-0055 Screening compound: N-ethyl-6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}pyrimidin-4-amine
G868-0055 Screening compound: N-ethyl-6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0055
N-ethyl-6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}pyrimidin-4-amine

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

G868-0055

Molecular Formula

C19H22F3N5O (C19 H22 F3 N5 O)

Compound Name

N-ethyl-6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}pyrimidin-4-amine

IUPAC name

N-ethyl-6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}pyrimidin-4-amine

SMILES

CCNc1cc(C)nc(N(CC2)CCN2C(c2cccc(C(F)(F)F)c2)=O)n1

InChI

InChI=1S/C19H22F3N5O/c1-3-23-16-11-13(2)24-18(25-16)27-9-7-26(8-10-27)17(28)14-5-4-6-15(12-14)19(20,21)22/h4-6,11-12H,3,7-10H2,1-2H3,(H,23,24,25)

InChI Key

LWUJPKIVQLZOBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.27

Polar Surface Area

48.151

Acid Dissociation Constant (pKa)

18.32

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

G868-0055 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with G868-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0055?
Check Price and Availability of G868-0055, 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 G868-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0055
  • 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 G868-0055 available by request