D349-3329 Screening compound: N-butyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline

D349-3329 Screening compound: N-butyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
D349-3329 Screening compound: N-butyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-3329
N-butyl-2-nitro-4-[3-(pyridin-4-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

D349-3329

Molecular Formula

C17H17N5O3 (C17 H17 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCNc(ccc(-c1nc(-c2ccncc2)no1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H17N5O3/c1-2-3-8-19-14-5-4-13(11-15(14)22(23)24)17-20-16(21-25-17)12-6-9-18-10-7-12/h4-7,9-11,19H,2-3,8H2,1H3

InChI Key

SEAUUBSULSEXJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.176

Water Solubility, LogSw

-4.20

Polar Surface Area

83.803

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D349-3329 in Drug Discovery

Included in Screening Libraries

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 D349-3329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-3329?
Check Price and Availability of D349-3329, 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 D349-3329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-3329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-3329
  • 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 D349-3329 available by request