S553-0192 Screening compound: 2-(4-fluorophenyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

S553-0192 Screening compound: 2-(4-fluorophenyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
S553-0192 Screening compound: 2-(4-fluorophenyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0192
2-(4-fluorophenyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

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

S553-0192

Molecular Formula

C15H14F4N4 (C15 H14 F4 N4)

Compound Name

2-(4-fluorophenyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

IUPAC name

2-(4-fluorophenyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

SMILES

FC(c1nc(-c(cc2)ccc2F)nc(N2CCNCC2)c1)(F)F

InChI

InChI=1S/C15H14F4N4/c16-11-3-1-10(2-4-11)14-21-12(15(17,18)19)9-13(22-14)23-7-5-20-6-8-23/h1-4,9,20H,5-8H2

InChI Key

WDDFGUPZMMLUAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25953235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-4.12

Polar Surface Area

33.415

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S553-0192 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Kinases
  • Ion Channels
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S553-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0192?
Check Price and Availability of S553-0192, 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 S553-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0192
  • 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 S553-0192 available by request