C429-0226 Screening compound: 1,3-dimethyl 5-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1,3-dicarboxylate

C429-0226 Screening compound: 1,3-dimethyl 5-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1,3-dicarboxylate
C429-0226 Screening compound: 1,3-dimethyl 5-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0226
1,3-dimethyl 5-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1,3-dicarboxylate

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

C429-0226

Molecular Formula

C24H27N3O6 (C24 H27 N3 O6)

Compound Name

1,3-dimethyl 5-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-({2-[2-(morpholin-4-yl)ethyl]-3-oxo-23-dihydro-1H-isoindol-1-yl}amino)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c2c3cccc2)N(CCN2CCOCC2)C3=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C24H27N3O6/c1-31-23(29)16-13-17(24(30)32-2)15-18(14-16)25-21-19-5-3-4-6-20(19)22(28)27(21)8-7-26-9-11-33-12-10-26/h3-6,13-15,21,25H,7-12H2,1-2H3/t21-/m1/s1

InChI Key

DNZUFTNGLSFAJZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14756033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.44

Polar Surface Area

79.219

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C429-0226 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C429-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0226?
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What is the minimum amount of C429-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0226
  • 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 C429-0226 available by request