D138-0048 Screening compound: 4-bromo-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylbenzene-1-sulfonamide

D138-0048 Screening compound: 4-bromo-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylbenzene-1-sulfonamide
D138-0048 Screening compound: 4-bromo-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D138-0048
4-bromo-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylbenzene-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

D138-0048

Molecular Formula

C18H18BrN3O5S (C18 H18 BrN3 O5 S)

Compound Name

4-bromo-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylbenzene-1-sulfonamide

IUPAC name

4-bromo-N-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-N-methylbenzene-1-sulfonamide

SMILES

CN(Cc1nc(-c(cc2)cc(OC)c2OC)no1)S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C18H18BrN3O5S/c1-22(28(23,24)14-7-5-13(19)6-8-14)11-17-20-18(21-27-17)12-4-9-15(25-2)16(10-12)26-3/h4-10H,11H2,1-3H3

InChI Key

OZFUWBVBZYOIIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07037847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-4.23

Polar Surface Area

79.406

Acid Dissociation Constant (pKa)

29.20

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D138-0048 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D138-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D138-0048?
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What is the minimum amount of D138-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D138-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D138-0048
  • 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 D138-0048 available by request