E612-0028 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

E612-0028 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide
E612-0028 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0028
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

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

E612-0028

Molecular Formula

C24H21ClN2O4 (C24 H21 ClN2 O4)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

SMILES

COc(c(NC(C(c1ccccc1)N(Cc1c2cccc1)C2=O)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C24H21ClN2O4/c1-30-20-13-21(31-2)19(12-18(20)25)26-23(28)22(15-8-4-3-5-9-15)27-14-16-10-6-7-11-17(16)24(27)29/h3-13,22H,14H2,1-2H3,(H,26,28)/t22-/m1/s1

InChI Key

LVXMRBGVLHVBKT-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14903280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.625

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.80

Polar Surface Area

53.666

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

E612-0028 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E612-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0028?
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What is the minimum amount of E612-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0028
  • 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 E612-0028 available by request