C226-4482 Screening compound: 4-(4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine

C226-4482 Screening compound: 4-(4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
C226-4482 Screening compound: 4-(4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4482
4-(4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-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

C226-4482

Molecular Formula

C17H12F6N4O (C17 H12 F6 N4 O)

Compound Name

4-(4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine

IUPAC name

4-(4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine

SMILES

Cc1cc(C(F)(F)F)nn1-c1nc(-c(cc2)ccc2OC)cc(C(F)(F)F)n1

InChI

InChI=1S/C17H12F6N4O/c1-9-7-14(17(21,22)23)26-27(9)15-24-12(8-13(25-15)16(18,19)20)10-3-5-11(28-2)6-4-10/h3-8H,1-2H3

InChI Key

DIENRGIVMMTXED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.206

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-5.22

Polar Surface Area

39.074

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C226-4482 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C226-4482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4482?
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What is the minimum amount of C226-4482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4482
  • 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 C226-4482 available by request