C226-4427 Screening compound: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

C226-4427 Screening compound: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
C226-4427 Screening compound: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4427
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-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

C226-4427

Molecular Formula

C16H11BrF4N4 (C16 H11 BrF4 N4)

Compound Name

2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

IUPAC name

2-(4-bromo-35-dimethyl-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

SMILES

Cc(n(-c1nc(-c(cc2)ccc2F)cc(C(F)(F)F)n1)nc1C)c1Br

InChI

InChI=1S/C16H11BrF4N4/c1-8-14(17)9(2)25(24-8)15-22-12(7-13(23-15)16(19,20)21)10-3-5-11(18)6-4-10/h3-7H,1-2H3

InChI Key

KYFYKZHAVHCZRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.914

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.76

Polar Surface Area

31.883

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C226-4427 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C226-4427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4427?
Check Price and Availability of C226-4427, 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 C226-4427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4427
  • 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 C226-4427 available by request