6466-0321 Screening compound: 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide

6466-0321 Screening compound: 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide
6466-0321 Screening compound: 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0321
2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide

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

6466-0321

Molecular Formula

C25H22F3N5O2S (C25 H22 F3 N5 O2 S)

Compound Name

2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide

IUPAC name

2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide

SMILES

Cc1c(Cn(cc2)nc2NC(CSc2nc(-c(cc3)ccc3OC)cc(C(F)(F)F)n2)=O)cccc1

InChI

InChI=1S/C25H22F3N5O2S/c1-16-5-3-4-6-18(16)14-33-12-11-22(32-33)31-23(34)15-36-24-29-20(13-21(30-24)25(26,27)28)17-7-9-19(35-2)10-8-17/h3-13H,14-15H2,1-2H3,(H,31,32,34)

InChI Key

FCOKJFATUUMDGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.946

Distribution Coefficient, logD

5.945

Water Solubility, LogSw

-5.52

Polar Surface Area

62.637

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 6466-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0321?
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What is the minimum amount of 6466-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0321
  • 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 6466-0321 available by request