D242-0019 Screening compound: 4-chloro-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)benzene-1-sulfonamide

D242-0019 Screening compound: 4-chloro-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)benzene-1-sulfonamide
D242-0019 Screening compound: 4-chloro-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D242-0019
4-chloro-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)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

D242-0019

Molecular Formula

C20H20ClN3O5S (C20 H20 ClN3 O5 S)

Compound Name

4-chloro-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-N-(prop-2-en-1-yl)benzene-1-sulfonamide

SMILES

COc(ccc(-c1noc(CN(CC=C)S(c(cc2)ccc2Cl)(=O)=O)n1)c1)c1OC

InChI

InChI=1S/C20H20ClN3O5S/c1-4-11-24(30(25,26)16-8-6-15(21)7-9-16)13-19-22-20(23-29-19)14-5-10-17(27-2)18(12-14)28-3/h4-10,12H,1,11,13H2,2-3H3

InChI Key

NTSOJVHQWHAAQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08087635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.66

Polar Surface Area

78.196

Acid Dissociation Constant (pKa)

28.81

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D242-0019 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D242-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D242-0019?
Check Price and Availability of D242-0019, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D242-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D242-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D242-0019
  • 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 D242-0019 available by request