C430-5013 Screening compound: 3-[(2,3-dimethylphenyl)amino]-2-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindol-1-one

C430-5013 Screening compound: 3-[(2,3-dimethylphenyl)amino]-2-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindol-1-one
C430-5013 Screening compound: 3-[(2,3-dimethylphenyl)amino]-2-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5013
3-[(2,3-dimethylphenyl)amino]-2-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindol-1-one

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

C430-5013

Molecular Formula

C24H24N2O2 (C24 H24 N2 O2)

Compound Name

3-[(2,3-dimethylphenyl)amino]-2-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(23-dimethylphenyl)amino]-2-(4-ethoxyphenyl)-23-dihydro-1H-isoindol-1-one

SMILES

CCOc(cc1)ccc1N(C(c1c2cccc1)Nc1c(C)c(C)ccc1)C2=O

InChI

InChI=1S/C24H24N2O2/c1-4-28-19-14-12-18(13-15-19)26-23(20-9-5-6-10-21(20)24(26)27)25-22-11-7-8-16(2)17(22)3/h5-15,23,25H,4H2,1-3H3/t23-/m1/s1

InChI Key

NVAWNQMDKWELIO-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14756799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.415

Distribution Coefficient, logD

5.415

Water Solubility, LogSw

-5.44

Polar Surface Area

30.816

Acid Dissociation Constant (pKa)

16.44

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C430-5013 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 C430-5013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5013?
Check Price and Availability of C430-5013, 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 C430-5013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5013
  • 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 C430-5013 available by request