8012-4838 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

8012-4838 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide
8012-4838 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4838
N-[2-(3,4-diethoxyphenyl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

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

8012-4838

Molecular Formula

C26H32N2O5 (C26 H32 N2 O5)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamide

SMILES

CCOc(ccc(CCNC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)c1)c1OCC

InChI

InChI=1S/C26H32N2O5/c1-3-32-22-14-13-19(18-23(22)33-4-2)15-16-27-24(29)12-6-5-9-17-28-25(30)20-10-7-8-11-21(20)26(28)31/h7-8,10-11,13-14,18H,3-6,9,12,15-17H2,1-2H3,(H,27,29)

InChI Key

YZFIZGRJOOOYOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-2.95

Polar Surface Area

68.203

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

8012-4838 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8012-4838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4838?
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What is the minimum amount of 8012-4838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4838
  • 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 8012-4838 available by request