Y042-3982 Screening compound: 2-(4-methoxybenzyl)-5-{[4-(methylsulfonyl)piperazino]carbonyl}-1H-isoindole-1,3(2H)-dione

Y042-3982 Screening compound: 2-(4-methoxybenzyl)-5-{[4-(methylsulfonyl)piperazino]carbonyl}-1H-isoindole-1,3(2H)-dione
Y042-3982 Screening compound: 2-(4-methoxybenzyl)-5-{[4-(methylsulfonyl)piperazino]carbonyl}-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3982
2-(4-methoxybenzyl)-5-{[4-(methylsulfonyl)piperazino]carbonyl}-1H-isoindole-1,3(2H)-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

Y042-3982

Molecular Formula

C22H23N3O6S (C22 H23 N3 O6 S)

Compound Name

2-(4-methoxybenzyl)-5-{[4-(methylsulfonyl)piperazino]carbonyl}-1H-isoindole-1,3(2H)-dione

IUPAC name

5-(4-methanesulfonylpiperazine-1-carbonyl)-2-[(4-methoxyphenyl)methyl]-23-dihydro-1H-isoindole-13-dione

SMILES

COc1ccc(CN(C(c(cc2)c3cc2C(N(CC2)CCN2S(C)(=O)=O)=O)=O)C3=O)cc1

InChI

InChI=1S/C22H23N3O6S/c1-31-17-6-3-15(4-7-17)14-25-21(27)18-8-5-16(13-19(18)22(25)28)20(26)23-9-11-24(12-10-23)32(2,29)30/h3-8,13H,9-12,14H2,1-2H3

InChI Key

IKPNNKFANJSTKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13755466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

1.383

Water Solubility, LogSw

-2.49

Polar Surface Area

84.966

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

Y042-3982 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-3982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3982?
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What is the minimum amount of Y042-3982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3982
  • 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 Y042-3982 available by request