D679-0712 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

D679-0712 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide
D679-0712 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0712
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

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

D679-0712

Molecular Formula

C20H16N4O5 (C20 H16 N4 O5)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-{[5-(phenoxymethyl)-124-oxadiazol-3-yl]methyl}acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)C2=O)NCc1noc(COc2ccccc2)n1

InChI

InChI=1S/C20H16N4O5/c25-17(11-24-19(26)14-8-4-5-9-15(14)20(24)27)21-10-16-22-18(29-23-16)12-28-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,25)

InChI Key

HCGXYBXHGZJJEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-2.87

Polar Surface Area

93.795

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D679-0712 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 D679-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0712?
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What is the minimum amount of D679-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0712
  • 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 D679-0712 available by request