4248-0110 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)butanamide

4248-0110 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)butanamide
4248-0110 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4248-0110
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)butanamide

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

4248-0110

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)butanamide

IUPAC name

4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)butanamide

SMILES

CCOc(cc1)ccc1NC(CCCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C20H20N2O4/c1-2-26-15-11-9-14(10-12-15)21-18(23)8-5-13-22-19(24)16-6-3-4-7-17(16)20(22)25/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,23)

InChI Key

WAXRXCAUGBUUMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-3.00

Polar Surface Area

59.743

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4248-0110 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4248-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4248-0110?
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What is the minimum amount of 4248-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4248-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4248-0110
  • 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 4248-0110 available by request