0727-0011 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

0727-0011 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
0727-0011 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0727-0011
2-{[4-(4-methylbenzenesulfonyl)piperazin-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

0727-0011

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

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

IUPAC name

2-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc1)ccc1S(N1CCN(CN(C(c2c3cccc2)=O)C3=O)CC1)(=O)=O

InChI

InChI=1S/C20H21N3O4S/c1-15-6-8-16(9-7-15)28(26,27)22-12-10-21(11-13-22)14-23-19(24)17-4-2-3-5-18(17)20(23)25/h2-9H,10-14H2,1H3

InChI Key

CEZOWORZQXHVFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00499031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.537

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-2.85

Polar Surface Area

66.436

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0727-0011 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0727-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0727-0011?
Check Price and Availability of 0727-0011, 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 0727-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0727-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0727-0011
  • 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 0727-0011 available by request