D349-2348 Screening compound: 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline

D349-2348 Screening compound: 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
D349-2348 Screening compound: 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-2348
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]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

D349-2348

Molecular Formula

C21H17N5O3 (C21 H17 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1noc(-c(cc2)cc([N+]([O-])=O)c2NCc2cnccc2)n1

InChI

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

InChI Key

ABZRNUKOIMSZTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821354

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

4.117

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-4.18

Polar Surface Area

83.779

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D349-2348 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 D349-2348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-2348?
Check Price and Availability of D349-2348, 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 D349-2348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-2348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-2348
  • 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 D349-2348 available by request