E612-0138 Screening compound: N-(3,4-difluorophenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

E612-0138 Screening compound: N-(3,4-difluorophenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide
E612-0138 Screening compound: N-(3,4-difluorophenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0138
N-(3,4-difluorophenyl)-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

E612-0138

Molecular Formula

C22H16F2N2O2 (C22 H16 F2 N2 O2)

Compound Name

N-(3,4-difluorophenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

IUPAC name

N-(34-difluorophenyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

SMILES

O=C(C(c1ccccc1)N(Cc1c2cccc1)C2=O)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C22H16F2N2O2/c23-18-11-10-16(12-19(18)24)25-21(27)20(14-6-2-1-3-7-14)26-13-15-8-4-5-9-17(15)22(26)28/h1-12,20H,13H2,(H,25,27)/t20-/m1/s1

InChI Key

NKIKJDQTRRTGEH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14903328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.384

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.47

Polar Surface Area

39.103

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

E612-0138 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Proline Kinase Library (2105 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E612-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0138?
Check Price and Availability of E612-0138, 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 E612-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0138
  • 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 E612-0138 available by request