6466-0235 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate

6466-0235 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate
6466-0235 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0235
methyl 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate

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

6466-0235

Molecular Formula

C15H13F3N2O3S (C15 H13 F3 N2 O3 S)

Compound Name

methyl 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate

SMILES

COC(CSc1nc(-c(cc2)ccc2OC)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C15H13F3N2O3S/c1-22-10-5-3-9(4-6-10)11-7-12(15(16,17)18)20-14(19-11)24-8-13(21)23-2/h3-7H,8H2,1-2H3

InChI Key

PLUKNIHNTSYDSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-4.10

Polar Surface Area

45.383

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

6466-0235 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6466-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0235?
Check Price and Availability of 6466-0235, 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 6466-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0235
  • 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 6466-0235 available by request