6466-0894 Screening compound: N-[4-(dimethylamino)phenyl]-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

6466-0894 Screening compound: N-[4-(dimethylamino)phenyl]-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
6466-0894 Screening compound: N-[4-(dimethylamino)phenyl]-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0894
N-[4-(dimethylamino)phenyl]-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}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

6466-0894

Molecular Formula

C19H17F3N4O2S (C19 H17 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c(cc1)ccc1NC(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C19H17F3N4O2S/c1-26(2)13-7-5-12(6-8-13)23-17(27)11-29-18-24-14(15-4-3-9-28-15)10-16(25-18)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,27)

InChI Key

KCKJRQJJSBPZAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.26

Polar Surface Area

51.521

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6466-0894 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6466-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0894?
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What is the minimum amount of 6466-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0894
  • 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 6466-0894 available by request