E612-0864 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

E612-0864 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
E612-0864 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0864
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

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

E612-0864

Molecular Formula

C24H30N2O4 (C24 H30 N2 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)pentanamide

SMILES

CC(C)CC(C(NCCc(cc1)cc(OC)c1OC)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C24H30N2O4/c1-16(2)13-20(26-15-18-7-5-6-8-19(18)24(26)28)23(27)25-12-11-17-9-10-21(29-3)22(14-17)30-4/h5-10,14,16,20H,11-13,15H2,1-4H3,(H,25,27)/t20-/m0/s1

InChI Key

KPJYLCVPGJHRIA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14903533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.127

Distribution Coefficient, logD

3.127

Water Solubility, LogSw

-3.47

Polar Surface Area

55.763

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E612-0864 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E612-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0864?
Check Price and Availability of E612-0864, 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 E612-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0864
  • 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 E612-0864 available by request