K842-0003 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide

K842-0003 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide
K842-0003 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K842-0003
2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}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

K842-0003

Molecular Formula

C29H21ClN2O5S (C29 H21 ClN2 O5 S)

Compound Name

2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide

IUPAC name

2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-methoxyphenyl)-13-dioxo-23-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide

SMILES

COc(cc1)ccc1N(C(c(cc1)c2cc1Oc(cc1)ccc1NC(CSc(cc1)ccc1Cl)=O)=O)C2=O

InChI

InChI=1S/C29H21ClN2O5S/c1-36-21-10-6-20(7-11-21)32-28(34)25-15-12-23(16-26(25)29(32)35)37-22-8-4-19(5-9-22)31-27(33)17-38-24-13-2-18(30)3-14-24/h2-16H,17H2,1H3,(H,31,33)

InChI Key

BYRIIAUQUSYCQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.429

Distribution Coefficient, logD

6.429

Water Solubility, LogSw

-6.24

Polar Surface Area

66.049

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

K842-0003 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K842-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K842-0003?
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What is the minimum amount of K842-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K842-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K842-0003
  • 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 K842-0003 available by request