K842-0030 Screening compound: 2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[(furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide

K842-0030 Screening compound: 2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[(furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide
K842-0030 Screening compound: 2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[(furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K842-0030
2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[(furan-2-yl)methyl]-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

K842-0030

Molecular Formula

C27H19BrN2O5S (C27 H19 BrN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc(cc1)ccc1Br)Nc(cc1)ccc1Oc(cc1)cc(C(N2Cc3ccco3)=O)c1C2=O

InChI

InChI=1S/C27H19BrN2O5S/c28-17-3-10-22(11-4-17)36-16-25(31)29-18-5-7-19(8-6-18)35-20-9-12-23-24(14-20)27(33)30(26(23)32)15-21-2-1-13-34-21/h1-14H,15-16H2,(H,29,31)

InChI Key

DJNIKSNDMOUXIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.43

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

6.148

Distribution Coefficient, logD

6.148

Water Solubility, LogSw

-5.87

Polar Surface Area

66.866

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

K842-0030 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K842-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K842-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K842-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K842-0030
  • 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 K842-0030 available by request