C430-5092 Screening compound: ethyl 4-{[2-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate

C430-5092 Screening compound: ethyl 4-{[2-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate
C430-5092 Screening compound: ethyl 4-{[2-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5092
ethyl 4-{[2-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate

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

C430-5092

Molecular Formula

C24H22N2O3 (C24 H22 N2 O3)

Compound Name

ethyl 4-{[2-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate

IUPAC name

ethyl 4-{[2-(2-methylphenyl)-3-oxo-23-dihydro-1H-isoindol-1-yl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cccc1)c1C1=O)N1c1c(C)cccc1)=O

InChI

InChI=1S/C24H22N2O3/c1-3-29-24(28)17-12-14-18(15-13-17)25-22-19-9-5-6-10-20(19)23(27)26(22)21-11-7-4-8-16(21)2/h4-15,22,25H,3H2,1-2H3/t22-/m1/s1

InChI Key

WCVVMXABSHERLT-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14756865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.11

Polar Surface Area

44.843

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C430-5092 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 C430-5092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5092?
Check Price and Availability of C430-5092, 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 C430-5092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5092
  • 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 C430-5092 available by request