E612-0814 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

E612-0814 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
E612-0814 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0814
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methyl-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

E612-0814

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

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

IUPAC name

N-[2-(25-dimethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamide

SMILES

CC(C)C(C(NCCc(cc(cc1)OC)c1OC)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C23H28N2O4/c1-15(2)21(25-14-17-7-5-6-8-19(17)23(25)27)22(26)24-12-11-16-13-18(28-3)9-10-20(16)29-4/h5-10,13,15,21H,11-12,14H2,1-4H3,(H,24,26)/t21-/m0/s1

InChI Key

CZZOUFBMEQLKOD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14903506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.74

Polar Surface Area

55.712

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E612-0814 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 E612-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0814?
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What is the minimum amount of E612-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0814
  • 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 E612-0814 available by request