1682-2989 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide

1682-2989 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
1682-2989 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-2989
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide

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

1682-2989

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide

SMILES

CCc(cccc1)c1NC(C(CC(C)C)N(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C22H24N2O3/c1-4-15-9-5-8-12-18(15)23-20(25)19(13-14(2)3)24-21(26)16-10-6-7-11-17(16)22(24)27/h5-12,14,19H,4,13H2,1-3H3,(H,23,25)/t19-/m0/s1

InChI Key

IKLKNBSVNOLLER-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00707990

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

4.853

Distribution Coefficient, logD

4.853

Water Solubility, LogSw

-4.54

Polar Surface Area

51.082

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

1682-2989 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-2989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-2989?
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What is the minimum amount of 1682-2989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-2989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-2989
  • 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 1682-2989 available by request