E612-2191 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

E612-2191 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
E612-2191 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-2191
N-(5-chloro-2-methoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

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

E612-2191

Molecular Formula

C18H17ClN2O3 (C18 H17 ClN2 O3)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

CC(C(Nc(cc(cc1)Cl)c1OC)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C18H17ClN2O3/c1-11(21-10-12-5-3-4-6-14(12)18(21)23)17(22)20-15-9-13(19)7-8-16(15)24-2/h3-9,11H,10H2,1-2H3,(H,20,22)/t11-/m0/s1

InChI Key

KUDWRYDFMFBFEX-NSHDSACASA-N

MDL Number (MFCD)

MFCD14903908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

2.999

Water Solubility, LogSw

-3.59

Polar Surface Area

46.687

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E612-2191 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E612-2191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-2191?
Check Price and Availability of E612-2191, 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 E612-2191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-2191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-2191
  • 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 E612-2191 available by request