K842-0012 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide

K842-0012 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide
K842-0012 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K842-0012
2-[(4-chlorophenyl)sulfanyl]-N-(4-{[2-(4-acetamidophenyl)-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

K842-0012

Molecular Formula

C30H22ClN3O5S (C30 H22 ClN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C30H22ClN3O5S/c1-18(35)32-20-4-8-22(9-5-20)34-29(37)26-15-12-24(16-27(26)30(34)38)39-23-10-6-21(7-11-23)33-28(36)17-40-25-13-2-19(31)3-14-25/h2-16H,17H2,1H3,(H,32,35)(H,33,36)

InChI Key

UCOXCBOMQUFIBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.04

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.648

Distribution Coefficient, logD

5.648

Water Solubility, LogSw

-5.90

Polar Surface Area

81.767

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K842-0012 in Drug Discovery

Included in Screening Libraries

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 K842-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K842-0012?
Check Price and Availability of K842-0012, 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 K842-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K842-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K842-0012
  • 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 K842-0012 available by request