G862-0456 Screening compound: 2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide

G862-0456 Screening compound: 2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
G862-0456 Screening compound: 2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0456
2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[2-(trifluoromethyl)phenyl]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

G862-0456

Molecular Formula

C21H19F3N4O3S (C21 H19 F3 N4 O3 S)

Compound Name

2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1ccnc(SCc(cc2OCC(Nc3c(C(F)(F)F)cccc3)=O)ncc2OC)n1

InChI

InChI=1S/C21H19F3N4O3S/c1-13-7-8-25-20(27-13)32-12-14-9-17(18(30-2)10-26-14)31-11-19(29)28-16-6-4-3-5-15(16)21(22,23)24/h3-10H,11-12H2,1-2H3,(H,28,29)

InChI Key

KTLPLVHZZUWOIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.70

Polar Surface Area

64.527

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with G862-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0456?
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What is the minimum amount of G862-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0456
  • 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 G862-0456 available by request