6466-0711 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

6466-0711 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
6466-0711 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0711
1-(4-benzylpiperazin-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

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

6466-0711

Molecular Formula

C22H21F3N4OS2 (C22 H21 F3 N4 OS2)

Compound Name

1-(4-benzylpiperazin-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nc(C(F)(F)F)cc(-c2cccs2)n1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C22H21F3N4OS2/c23-22(24,25)19-13-17(18-7-4-12-31-18)26-21(27-19)32-15-20(30)29-10-8-28(9-11-29)14-16-5-2-1-3-6-16/h1-7,12-13H,8-11,14-15H2

InChI Key

LCRYRUVQNLPQTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.36

Polar Surface Area

37.940

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

6466-0711 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6466-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0711?
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What is the minimum amount of 6466-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0711
  • 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 6466-0711 available by request