C429-0232 Screening compound: N,N-diethyl-4-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1-sulfonamide

C429-0232 Screening compound: N,N-diethyl-4-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1-sulfonamide
C429-0232 Screening compound: N,N-diethyl-4-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0232
N,N-diethyl-4-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1-sulfonamide

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

C429-0232

Molecular Formula

C24H32N4O4S (C24 H32 N4 O4 S)

Compound Name

N,N-diethyl-4-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1-sulfonamide

IUPAC name

NN-diethyl-4-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-23-dihydro-1H-isoindol-1-yl}amino)benzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)ccc1NC(c1c2cccc1)N(CCN1CCOCC1)C2=O)(=O)=O

InChI

InChI=1S/C24H32N4O4S/c1-3-27(4-2)33(30,31)20-11-9-19(10-12-20)25-23-21-7-5-6-8-22(21)24(29)28(23)14-13-26-15-17-32-18-16-26/h5-12,23,25H,3-4,13-18H2,1-2H3/t23-/m0/s1

InChI Key

ZYFFCHLHMVSVDS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14756034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.404

Distribution Coefficient, logD

2.389

Water Solubility, LogSw

-2.90

Polar Surface Area

67.968

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

C429-0232 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C429-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0232?
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What is the minimum amount of C429-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0232
  • 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 C429-0232 available by request