D731-0521 Screening compound: N-(2-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}ethyl)aniline

D731-0521 Screening compound: N-(2-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}ethyl)aniline
D731-0521 Screening compound: N-(2-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}ethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0521
N-(2-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}ethyl)aniline

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

D731-0521

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

N-(2-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}ethyl)aniline

IUPAC name

N-(2-{5-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-124-oxadiazol-3-yl}ethyl)aniline

SMILES

COc(ccc(/C=C/c1nc(CCNc2ccccc2)no1)c1)c1OC

InChI

InChI=1S/C20H21N3O3/c1-24-17-10-8-15(14-18(17)25-2)9-11-20-22-19(23-26-20)12-13-21-16-6-4-3-5-7-16/h3-11,14,21H,12-13H2,1-2H3

InChI Key

RBMINOOXHCAWOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09875041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.927

Distribution Coefficient, logD

3.927

Water Solubility, LogSw

-4.13

Polar Surface Area

57.909

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D731-0521 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

?ysteine Targeted Covalent Library (39471 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 D731-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0521?
Check Price and Availability of D731-0521, 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 D731-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0521
  • 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 D731-0521 available by request