K842-0029 Screening compound: 2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(methylsulfanyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide

K842-0029 Screening compound: 2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(methylsulfanyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide
K842-0029 Screening compound: 2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(methylsulfanyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K842-0029
2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(methylsulfanyl)phenyl]-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

K842-0029

Molecular Formula

C29H21BrN2O4S2 (C29 H21 BrN2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc(cccc1)c1N(C(c(cc1)c2cc1Oc(cc1)ccc1NC(CSc(cc1)ccc1Br)=O)=O)C2=O

InChI

InChI=1S/C29H21BrN2O4S2/c1-37-26-5-3-2-4-25(26)32-28(34)23-15-12-21(16-24(23)29(32)35)36-20-10-8-19(9-11-20)31-27(33)17-38-22-13-6-18(30)7-14-22/h2-16H,17H2,1H3,(H,31,33)

InChI Key

DZICCPNIRQFSKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.072

Distribution Coefficient, logD

7.072

Water Solubility, LogSw

-5.66

Polar Surface Area

58.204

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

K842-0029 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 K842-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K842-0029?
Check Price and Availability of K842-0029, 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 K842-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K842-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K842-0029
  • 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 K842-0029 available by request