C430-5093 Screening compound: 1,3-dimethyl 5-{[2-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzene-1,3-dicarboxylate

C430-5093 Screening compound: 1,3-dimethyl 5-{[2-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzene-1,3-dicarboxylate
C430-5093 Screening compound: 1,3-dimethyl 5-{[2-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5093
1,3-dimethyl 5-{[2-(2-methylphenyl)-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

C430-5093

Molecular Formula

C25H22N2O5 (C25 H22 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1N(C(c1c2cccc1)Nc1cc(C(OC)=O)cc(C(OC)=O)c1)C2=O

InChI

InChI=1S/C25H22N2O5/c1-15-8-4-7-11-21(15)27-22(19-9-5-6-10-20(19)23(27)28)26-18-13-16(24(29)31-2)12-17(14-18)25(30)32-3/h4-14,22,26H,1-3H3/t22-/m1/s1

InChI Key

JGOLCTJEECKDIG-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14756866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.014

Water Solubility, LogSw

-4.73

Polar Surface Area

66.437

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

C430-5093 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C430-5093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5093?
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What is the minimum amount of C430-5093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5093
  • 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 C430-5093 available by request