D349-3090 Screening compound: N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline

D349-3090 Screening compound: N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
D349-3090 Screening compound: N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-3090
N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]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

D349-3090

Molecular Formula

C21H17N5O3 (C21 H17 N5 O3)

Compound Name

N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline

IUPAC name

N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]aniline

SMILES

Cc1ccc(CNc(ccc(-c2nc(-c3cnccc3)no2)c2)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C21H17N5O3/c1-14-4-6-15(7-5-14)12-23-18-9-8-16(11-19(18)26(27)28)21-24-20(25-29-21)17-3-2-10-22-13-17/h2-11,13,23H,12H2,1H3

InChI Key

BSOHHMBFAQOCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.11

Polar Surface Area

83.779

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D349-3090 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 D349-3090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-3090?
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What is the minimum amount of D349-3090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-3090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-3090
  • 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 D349-3090 available by request