E612-1228 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

E612-1228 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
E612-1228 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1228
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

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

E612-1228

Molecular Formula

C23H28N2O6S (C23 H28 N2 O6 S)

Compound Name

N-[2-(2,5-dimethoxyphenyl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

IUPAC name

N-[2-(25-dimethoxyphenyl)ethyl]-4-methanesulfonyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamide

SMILES

COc(cc1)cc(CCNC(C(CCS(C)(=O)=O)N(Cc2c3cccc2)C3=O)=O)c1OC

InChI

InChI=1S/C23H28N2O6S/c1-30-18-8-9-21(31-2)16(14-18)10-12-24-22(26)20(11-13-32(3,28)29)25-15-17-6-4-5-7-19(17)23(25)27/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,26)/t20-/m0/s1

InChI Key

WGKCFRUAATXQHL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14903724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.601

Distribution Coefficient, logD

1.601

Water Solubility, LogSw

-2.71

Polar Surface Area

84.689

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E612-1228 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 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 E612-1228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1228?
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What is the minimum amount of E612-1228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1228
  • 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 E612-1228 available by request