S553-0186 Screening compound: 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine

S553-0186 Screening compound: 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
S553-0186 Screening compound: 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0186
4-chloro-2-phenyl-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

S553-0186

Molecular Formula

C11H6ClF3N2 (C11 H6 ClF3 N2)

Compound Name

4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine

IUPAC name

4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine

SMILES

FC(c1cc(Cl)nc(-c2ccccc2)n1)(F)F

InChI

InChI=1S/C11H6ClF3N2/c12-9-6-8(11(13,14)15)16-10(17-9)7-4-2-1-3-5-7/h1-6H

InChI Key

CWZUWJRMFIDBRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.63

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.409

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.79

Polar Surface Area

18.405

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

S553-0186 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with S553-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0186?
Check Price and Availability of S553-0186, 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 S553-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0186
  • 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 S553-0186 available by request