1682-2669 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)-3-methylbutanamide

1682-2669 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)-3-methylbutanamide
1682-2669 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-2669
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)-3-methylbutanamide

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

1682-2669

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

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

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(4-ethoxyphenyl)-3-methylbutanamide

SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-4-27-15-11-9-14(10-12-15)22-19(24)18(13(2)3)23-20(25)16-7-5-6-8-17(16)21(23)26/h5-13,18H,4H2,1-3H3,(H,22,24)/t18-/m0/s1

InChI Key

OFOSXUGZMQZIJV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00573330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.17

Polar Surface Area

58.939

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

1682-2669 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1682-2669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-2669?
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What is the minimum amount of 1682-2669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-2669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-2669
  • 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 1682-2669 available by request