K831-0158 Screening compound: 2-{[2-(5-chloro-2-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

K831-0158 Screening compound: 2-{[2-(5-chloro-2-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
K831-0158 Screening compound: 2-{[2-(5-chloro-2-methoxybenzenesulfonyl)-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 K831-0158
2-{[2-(5-chloro-2-methoxybenzenesulfonyl)-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

K831-0158

Molecular Formula

C25H21ClN2O5S (C25 H21 ClN2 O5 S)

Compound Name

2-{[2-(5-chloro-2-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{[2-(5-chloro-2-methoxybenzenesulfonyl)-1234-tetrahydroisoquinolin-1-yl]methyl}-23-dihydro-1H-isoindole-13-dione

SMILES

COc(ccc(Cl)c1)c1S(N(CC1)C(CN(C(c2c3cccc2)=O)C3=O)c2c1cccc2)(=O)=O

InChI

InChI=1S/C25H21ClN2O5S/c1-33-22-11-10-17(26)14-23(22)34(31,32)28-13-12-16-6-2-3-7-18(16)21(28)15-27-24(29)19-8-4-5-9-20(19)25(27)30/h2-11,14,21H,12-13,15H2,1H3/t21-/m0/s1

InChI Key

KGRYFTFQNXWWRN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02939103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.56

Polar Surface Area

68.808

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

-9.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K831-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K831-0158?
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What is the minimum amount of K831-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K831-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K831-0158
  • 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 K831-0158 available by request