D242-0089 Screening compound: 4-bromo-N-ethyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

D242-0089 Screening compound: 4-bromo-N-ethyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide
D242-0089 Screening compound: 4-bromo-N-ethyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D242-0089
4-bromo-N-ethyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

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

D242-0089

Molecular Formula

C18H18BrN3O4S (C18 H18 BrN3 O4 S)

Compound Name

4-bromo-N-ethyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

IUPAC name

4-bromo-N-ethyl-N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

SMILES

CCN(Cc1nc(-c(cc2)ccc2OC)no1)S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C18H18BrN3O4S/c1-3-22(27(23,24)16-10-6-14(19)7-11-16)12-17-20-18(21-26-17)13-4-8-15(25-2)9-5-13/h4-11H,3,12H2,1-2H3

InChI Key

CAUUHIJHBSSDEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.624

Distribution Coefficient, logD

4.624

Water Solubility, LogSw

-4.38

Polar Surface Area

70.225

Acid Dissociation Constant (pKa)

27.91

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D242-0089 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D242-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D242-0089?
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What is the minimum amount of D242-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D242-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D242-0089
  • 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 D242-0089 available by request