6466-0315 Screening compound: N-(4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

6466-0315 Screening compound: N-(4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
6466-0315 Screening compound: N-(4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0315
N-(4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-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

6466-0315

Molecular Formula

C21H18F3N3O3S (C21 H18 F3 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1cc(C(F)(F)F)nc(SCC(Nc(cc2)ccc2OC)=O)n1

InChI

InChI=1S/C21H18F3N3O3S/c1-29-15-7-3-13(4-8-15)17-11-18(21(22,23)24)27-20(26-17)31-12-19(28)25-14-5-9-16(30-2)10-6-14/h3-11H,12H2,1-2H3,(H,25,28)

InChI Key

IKOKOCYPDJODBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

5.274

Water Solubility, LogSw

-5.21

Polar Surface Area

55.225

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

6466-0315 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6466-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0315?
Check Price and Availability of 6466-0315, 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 6466-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0315
  • 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 6466-0315 available by request