E612-2138 Screening compound: N-(3-chloro-2-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

E612-2138 Screening compound: N-(3-chloro-2-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
E612-2138 Screening compound: N-(3-chloro-2-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-2138
N-(3-chloro-2-methylphenyl)-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

E612-2138

Molecular Formula

C18H17ClN2O2 (C18 H17 ClN2 O2)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

CC(C(Nc1cccc(Cl)c1C)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C18H17ClN2O2/c1-11-15(19)8-5-9-16(11)20-17(22)12(2)21-10-13-6-3-4-7-14(13)18(21)23/h3-9,12H,10H2,1-2H3,(H,20,22)/t12-/m0/s1

InChI Key

VBDVUOCTWULAPE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14903876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.83

Polar Surface Area

39.056

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E612-2138 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E612-2138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-2138?
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What is the minimum amount of E612-2138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-2138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-2138
  • 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 E612-2138 available by request