6466-0890 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

6466-0890 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
6466-0890 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(piperidine-1-carbonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0890
2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(piperidine-1-carbonyl)phenyl]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

6466-0890

Molecular Formula

C23H21F3N4O3S (C23 H21 F3 N4 O3 S)

Compound Name

2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

IUPAC name

2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

SMILES

O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc(cc1)ccc1C(N1CCCCC1)=O

InChI

InChI=1S/C23H21F3N4O3S/c24-23(25,26)19-13-17(18-5-4-12-33-18)28-22(29-19)34-14-20(31)27-16-8-6-15(7-9-16)21(32)30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11,14H2,(H,27,31)

InChI Key

DLKXNPCFUREEPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-4.16

Polar Surface Area

65.365

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

6466-0890 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6466-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0890?
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What is the minimum amount of 6466-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0890
  • 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 6466-0890 available by request