E612-0097 Screening compound: 2-[2-oxo-1-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethyl]-2,3-dihydro-1H-isoindol-1-one

E612-0097 Screening compound: 2-[2-oxo-1-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethyl]-2,3-dihydro-1H-isoindol-1-one
E612-0097 Screening compound: 2-[2-oxo-1-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0097
2-[2-oxo-1-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethyl]-2,3-dihydro-1H-isoindol-1-one

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

E612-0097

Molecular Formula

C27H24N2O2 (C27 H24 N2 O2)

Compound Name

2-[2-oxo-1-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[2-oxo-1-phenyl-2-(4-phenyl-1236-tetrahydropyridin-1-yl)ethyl]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(C(c1ccccc1)N(Cc1c2cccc1)C2=O)N(CC1)CC=C1c1ccccc1

InChI

InChI=1S/C27H24N2O2/c30-26-24-14-8-7-13-23(24)19-29(26)25(22-11-5-2-6-12-22)27(31)28-17-15-21(16-18-28)20-9-3-1-4-10-20/h1-15,25H,16-19H2/t25-/m1/s1

InChI Key

BSBKBWJXFCBOJZ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14903312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.847

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-4.86

Polar Surface Area

32.388

Acid Dissociation Constant (pKa)

19.58

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

E612-0097 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with E612-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0097?
Check Price and Availability of E612-0097, 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 E612-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0097
  • 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 E612-0097 available by request