D349-2341 Screening compound: N,N-diethyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline

D349-2341 Screening compound: N,N-diethyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
D349-2341 Screening compound: N,N-diethyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-2341
N,N-diethyl-4-[3-(2-methylphenyl)-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

D349-2341

Molecular Formula

C19H20N4O3 (C19 H20 N4 O3)

Compound Name

N,N-diethyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline

IUPAC name

NN-diethyl-4-[3-(2-methylphenyl)-124-oxadiazol-5-yl]-2-nitroaniline

SMILES

CCN(CC)c(ccc(-c1nc(-c2c(C)cccc2)no1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C19H20N4O3/c1-4-22(5-2)16-11-10-14(12-17(16)23(24)25)19-20-18(21-26-19)15-9-7-6-8-13(15)3/h6-12H,4-5H2,1-3H3

InChI Key

QFHWYVAHENODHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.53

Polar Surface Area

67.160

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D349-2341 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D349-2341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-2341?
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What is the minimum amount of D349-2341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-2341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-2341
  • 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 D349-2341 available by request