3991-0024 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-(1-phenylethyl)pentanamide

3991-0024 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-(1-phenylethyl)pentanamide
3991-0024 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-(1-phenylethyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3991-0024
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-(1-phenylethyl)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

3991-0024

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-(1-phenylethyl)pentanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methyl-N-(1-phenylethyl)pentanamide

SMILES

CC(C)CC(C(NC(C)c1ccccc1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C22H24N2O3/c1-14(2)13-19(20(25)23-15(3)16-9-5-4-6-10-16)24-21(26)17-11-7-8-12-18(17)22(24)27/h4-12,14-15,19H,13H2,1-3H3,(H,23,25)

InChI Key

CZDUWUUJBVPIOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02762816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.33

Polar Surface Area

52.265

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

3991-0024 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3991-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3991-0024?
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What is the minimum amount of 3991-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3991-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3991-0024
  • 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 3991-0024 available by request