E612-0850 Screening compound: N-benzyl-N,4-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

E612-0850 Screening compound: N-benzyl-N,4-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
E612-0850 Screening compound: N-benzyl-N,4-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0850
N-benzyl-N,4-dimethyl-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

E612-0850

Molecular Formula

C22H26N2O2 (C22 H26 N2 O2)

Compound Name

N-benzyl-N,4-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

IUPAC name

N-benzyl-N4-dimethyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)pentanamide

SMILES

CC(C)CC(C(N(C)Cc1ccccc1)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C22H26N2O2/c1-16(2)13-20(22(26)23(3)14-17-9-5-4-6-10-17)24-15-18-11-7-8-12-19(18)21(24)25/h4-12,16,20H,13-15H2,1-3H3/t20-/m0/s1

InChI Key

DBIACAVOHAVRGW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14903522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.30

Polar Surface Area

32.398

Acid Dissociation Constant (pKa)

20.57

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E612-0850 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E612-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0850?
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What is the minimum amount of E612-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0850
  • 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 E612-0850 available by request