E612-0427 Screening compound: N-(6-methylpyridin-2-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

E612-0427 Screening compound: N-(6-methylpyridin-2-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide
E612-0427 Screening compound: N-(6-methylpyridin-2-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0427
N-(6-methylpyridin-2-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

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

E612-0427

Molecular Formula

C23H21N3O2 (C23 H21 N3 O2)

Compound Name

N-(6-methylpyridin-2-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

IUPAC name

N-(6-methylpyridin-2-yl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

SMILES

Cc1cccc(NC(C(Cc2ccccc2)N(Cc2c3cccc2)C3=O)=O)n1

InChI

InChI=1S/C23H21N3O2/c1-16-8-7-13-21(24-16)25-22(27)20(14-17-9-3-2-4-10-17)26-15-18-11-5-6-12-19(18)23(26)28/h2-13,20H,14-15H2,1H3,(H,24,25,27)/t20-/m0/s1

InChI Key

JGEAMJDBUCOKJH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14903363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.094

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.30

Polar Surface Area

48.056

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

E612-0427 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E612-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0427?
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What is the minimum amount of E612-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0427
  • 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 E612-0427 available by request