D349-2544 Screening compound: N-[(furan-2-yl)methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline

D349-2544 Screening compound: N-[(furan-2-yl)methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
D349-2544 Screening compound: N-[(furan-2-yl)methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-2544
N-[(furan-2-yl)methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline

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

D349-2544

Molecular Formula

C20H16N4O5 (C20 H16 N4 O5)

Compound Name

N-[(furan-2-yl)methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline

IUPAC name

N-[(furan-2-yl)methyl]-4-[3-(2-methoxyphenyl)-124-oxadiazol-5-yl]-2-nitroaniline

SMILES

COc(cccc1)c1-c1noc(-c(cc2)cc([N+]([O-])=O)c2NCc2ccco2)n1

InChI

InChI=1S/C20H16N4O5/c1-27-18-7-3-2-6-15(18)19-22-20(29-23-19)13-8-9-16(17(11-13)24(25)26)21-12-14-5-4-10-28-14/h2-11,21H,12H2,1H3

InChI Key

YGCLMMMSZKQRSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

4.611

Water Solubility, LogSw

-4.52

Polar Surface Area

89.641

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D349-2544 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D349-2544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-2544?
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What is the minimum amount of D349-2544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-2544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-2544
  • 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 D349-2544 available by request