6466-1111 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]acetamide

6466-1111 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]acetamide
6466-1111 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1111
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]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

6466-1111

Molecular Formula

C22H24F3N5O3S (C22 H24 F3 N5 O3 S)

Compound Name

2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]acetamide

IUPAC name

2-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]acetamide

SMILES

CCn1ncc(CNC(CSc2nc(-c(cc3)cc(OC)c3OC)cc(C(F)(F)F)n2)=O)c1C

InChI

InChI=1S/C22H24F3N5O3S/c1-5-30-13(2)15(11-27-30)10-26-20(31)12-34-21-28-16(9-19(29-21)22(23,24)25)14-6-7-17(32-3)18(8-14)33-4/h6-9,11H,5,10,12H2,1-4H3,(H,26,31)

InChI Key

PGRGZCAOGVUBBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.70

Polar Surface Area

70.646

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 6466-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1111?
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What is the minimum amount of 6466-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1111
  • 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 6466-1111 available by request