C430-5029 Screening compound: 3-[(3-chloro-4-methoxyphenyl)amino]-2-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindol-1-one

C430-5029 Screening compound: 3-[(3-chloro-4-methoxyphenyl)amino]-2-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindol-1-one
C430-5029 Screening compound: 3-[(3-chloro-4-methoxyphenyl)amino]-2-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5029
3-[(3-chloro-4-methoxyphenyl)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

C430-5029

Molecular Formula

C23H21ClN2O3 (C23 H21 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(c1c2cccc1)Nc(cc1)cc(Cl)c1OC)C2=O

InChI

InChI=1S/C23H21ClN2O3/c1-3-29-17-11-9-16(10-12-17)26-22(18-6-4-5-7-19(18)23(26)27)25-15-8-13-21(28-2)20(24)14-15/h4-14,22,25H,3H2,1-2H3/t22-/m0/s1

InChI Key

SHTZUJVBJJMMHM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14756810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.948

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-4.96

Polar Surface Area

39.144

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C430-5029 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C430-5029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5029?
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What is the minimum amount of C430-5029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5029
  • 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 C430-5029 available by request