D349-3457 Screening compound: 2-nitro-N-(1-phenylpropyl)-4-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]aniline

D349-3457 Screening compound: 2-nitro-N-(1-phenylpropyl)-4-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
D349-3457 Screening compound: 2-nitro-N-(1-phenylpropyl)-4-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-3457
2-nitro-N-(1-phenylpropyl)-4-[3-(pyridin-2-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

D349-3457

Molecular Formula

C22H19N5O3 (C22 H19 N5 O3)

Compound Name

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

IUPAC name

2-nitro-N-(1-phenylpropyl)-4-[3-(pyridin-2-yl)-124-oxadiazol-5-yl]aniline

SMILES

CCC(c1ccccc1)Nc(ccc(-c1nc(-c2ncccc2)no1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H19N5O3/c1-2-17(15-8-4-3-5-9-15)24-18-12-11-16(14-20(18)27(28)29)22-25-21(26-30-22)19-10-6-7-13-23-19/h3-14,17,24H,2H2,1H3/t17-/m0/s1

InChI Key

HJJCFAJXUIURLY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14821705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

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

5.094

Distribution Coefficient, logD

5.094

Water Solubility, LogSw

-4.98

Polar Surface Area

82.940

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D349-3457 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D349-3457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-3457?
Check Price and Availability of D349-3457, 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 D349-3457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-3457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-3457
  • 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 D349-3457 available by request