4953-1997 Screening compound: 3-(3,4-dimethoxyphenyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole

4953-1997 Screening compound: 3-(3,4-dimethoxyphenyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
4953-1997 Screening compound: 3-(3,4-dimethoxyphenyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1997
3-(3,4-dimethoxyphenyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole

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

4953-1997

Molecular Formula

C19H20N2O4 (C19 H20 N2 O4)

Compound Name

3-(3,4-dimethoxyphenyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole

IUPAC name

3-(34-dimethoxyphenyl)-5-[(34-dimethylphenoxy)methyl]-124-oxadiazole

SMILES

Cc(cc1)c(C)cc1OCc1nc(-c(cc2)cc(OC)c2OC)no1

InChI

InChI=1S/C19H20N2O4/c1-12-5-7-15(9-13(12)2)24-11-18-20-19(21-25-18)14-6-8-16(22-3)17(10-14)23-4/h5-10H,11H2,1-4H3

InChI Key

QSZYKFOCCPSXGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03255918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.53

Polar Surface Area

54.070

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4953-1997 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4953-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1997?
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What is the minimum amount of 4953-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1997
  • 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 4953-1997 available by request