E612-0168 Screening compound: methyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]benzoate

E612-0168 Screening compound: methyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]benzoate
E612-0168 Screening compound: methyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0168
methyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]benzoate

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

E612-0168

Molecular Formula

C24H20N2O4 (C24 H20 N2 O4)

Compound Name

methyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]benzoate

IUPAC name

methyl 4-[2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(C(c1ccccc1)N(Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C24H20N2O4/c1-30-24(29)17-11-13-19(14-12-17)25-22(27)21(16-7-3-2-4-8-16)26-15-18-9-5-6-10-20(18)23(26)28/h2-14,21H,15H2,1H3,(H,25,27)/t21-/m1/s1

InChI Key

AYDUEOHHRMIWOO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14903344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

4.118

Water Solubility, LogSw

-4.28

Polar Surface Area

60.277

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

E612-0168 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E612-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0168?
Check Price and Availability of E612-0168, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E612-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0168
  • 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 E612-0168 available by request