S553-0182 Screening compound: 2-(4-fluorophenyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone

S553-0182 Screening compound: 2-(4-fluorophenyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone
S553-0182 Screening compound: 2-(4-fluorophenyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0182
2-(4-fluorophenyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone

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

S553-0182

Molecular Formula

C11H6F4N2O (C11 H6 F4 N2 O)

Compound Name

2-(4-fluorophenyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone

IUPAC name

2-(4-fluorophenyl)-6-(trifluoromethyl)-34-dihydropyrimidin-4-one

SMILES

O=C1NC(c(cc2)ccc2F)=NC(C(F)(F)F)=C1

InChI

InChI=1S/C11H6F4N2O/c12-7-3-1-6(2-4-7)10-16-8(11(13,14)15)5-9(18)17-10/h1-5H,(H,16,17,18)

InChI Key

QJYOJCFDHYVQKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25953230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.146

Distribution Coefficient, logD

-2.308

Water Solubility, LogSw

-2.90

Polar Surface Area

35.191

Acid Dissociation Constant (pKa)

6.19

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

S553-0182 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S553-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0182?
Check Price and Availability of S553-0182, 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 S553-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0182
  • 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 S553-0182 available by request