D678-0490 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

D678-0490 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
D678-0490 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0490
N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)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

D678-0490

Molecular Formula

C19H13ClN4O4 (C19 H13 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(c1c2cccc1)=O)C2=O)NCc1noc(-c2cccc(Cl)c2)n1

InChI

InChI=1S/C19H13ClN4O4/c20-12-5-3-4-11(8-12)17-22-15(23-28-17)9-21-16(25)10-24-18(26)13-6-1-2-7-14(13)19(24)27/h1-8H,9-10H2,(H,21,25)

InChI Key

BMGTZCLGAIRHOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

2.732

Water Solubility, LogSw

-3.82

Polar Surface Area

86.631

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D678-0490 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D678-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0490?
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What is the minimum amount of D678-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0490
  • 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 D678-0490 available by request