6466-0346 Screening compound: N-benzyl-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide

6466-0346 Screening compound: N-benzyl-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide
6466-0346 Screening compound: N-benzyl-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0346
N-benzyl-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide

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

6466-0346

Molecular Formula

C21H17F4N3OS (C21 H17 F4 N3 OS)

Compound Name

N-benzyl-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide

IUPAC name

N-benzyl-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CSc1nc(-c(cc2)ccc2F)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C21H17F4N3OS/c1-28(12-14-5-3-2-4-6-14)19(29)13-30-20-26-17(11-18(27-20)21(23,24)25)15-7-9-16(22)10-8-15/h2-11H,12-13H2,1H3

InChI Key

YQRCJTJMKCONSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.556

Water Solubility, LogSw

-5.45

Polar Surface Area

32.883

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

6466-0346 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6466-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0346?
Check Price and Availability of 6466-0346, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6466-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0346
  • 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 6466-0346 available by request