6466-0357 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

6466-0357 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
6466-0357 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0357
2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)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

6466-0357

Molecular Formula

C21H17F4N3OS (C21 H17 F4 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(-c(cc2)ccc2F)cc(C(F)(F)F)n1)NCCc1ccccc1

InChI

InChI=1S/C21H17F4N3OS/c22-16-8-6-15(7-9-16)17-12-18(21(23,24)25)28-20(27-17)30-13-19(29)26-11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,26,29)

InChI Key

VPPCEWSAKMBYIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.93

Polar Surface Area

41.302

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

6466-0357 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 6466-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0357?
Check Price and Availability of 6466-0357, 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 6466-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0357
  • 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 6466-0357 available by request