6466-0844 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

6466-0844 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
6466-0844 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0844
2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-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

6466-0844

Molecular Formula

C16H12F3N3O2S2 (C16 H12 F3 N3 O2 S2)

Compound Name

2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1

InChI

InChI=1S/C16H12F3N3O2S2/c17-16(18,19)13-7-11(12-4-1-5-24-12)21-15(22-13)26-9-14(23)20-8-10-3-2-6-25-10/h1-7H,8-9H2,(H,20,23)

InChI Key

DOWXZZSUMGTRPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-4.04

Polar Surface Area

51.057

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

6466-0844 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 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 6466-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0844?
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What is the minimum amount of 6466-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0844
  • 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 6466-0844 available by request