E612-0983 Screening compound: N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

E612-0983 Screening compound: N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
E612-0983 Screening compound: N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0983
N-(3-chloro-4-methoxyphenyl)-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

E612-0983

Molecular Formula

C21H23ClN2O3 (C21 H23 ClN2 O3)

Compound Name

N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)pentanamide

SMILES

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

InChI

InChI=1S/C21H23ClN2O3/c1-13(2)10-18(24-12-14-6-4-5-7-16(14)21(24)26)20(25)23-15-8-9-19(27-3)17(22)11-15/h4-9,11,13,18H,10,12H2,1-3H3,(H,23,25)/t18-/m0/s1

InChI Key

QQISASGTEJMUJM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14903605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-4.50

Polar Surface Area

46.969

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E612-0983 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E612-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0983?
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What is the minimum amount of E612-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0983
  • 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 E612-0983 available by request