K831-0162 Screening compound: 2-{[2-(4-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

K831-0162 Screening compound: 2-{[2-(4-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
K831-0162 Screening compound: 2-{[2-(4-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K831-0162
2-{[2-(4-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

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

K831-0162

Molecular Formula

C24H19N3O6S (C24 H19 N3 O6 S)

Compound Name

2-{[2-(4-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{[2-(4-nitrobenzenesulfonyl)-1234-tetrahydroisoquinolin-1-yl]methyl}-23-dihydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc1)ccc1S(N(CC1)C(CN(C(c2c3cccc2)=O)C3=O)c2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C24H19N3O6S/c28-23-20-7-3-4-8-21(20)24(29)25(23)15-22-19-6-2-1-5-16(19)13-14-26(22)34(32,33)18-11-9-17(10-12-18)27(30)31/h1-12,22H,13-15H2/t22-/m0/s1

InChI Key

WOHYVKHSWOLCDE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02939107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

4.008

Water Solubility, LogSw

-4.30

Polar Surface Area

94.559

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

-8.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with K831-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K831-0162?
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What is the minimum amount of K831-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K831-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K831-0162
  • 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 K831-0162 available by request