D349-3102 Screening compound: 2-nitro-N-(1-phenylpropyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline

D349-3102 Screening compound: 2-nitro-N-(1-phenylpropyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
D349-3102 Screening compound: 2-nitro-N-(1-phenylpropyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-3102
2-nitro-N-(1-phenylpropyl)-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

D349-3102

Molecular Formula

C22H19N5O3 (C22 H19 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(c1ccccc1)Nc(ccc(-c1nc(-c2cnccc2)no1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H19N5O3/c1-2-18(15-7-4-3-5-8-15)24-19-11-10-16(13-20(19)27(28)29)22-25-21(26-30-22)17-9-6-12-23-14-17/h3-14,18,24H,2H2,1H3/t18-/m0/s1

InChI Key

UKTNZWLUUPDQPZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14821555

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

4.989

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.47

Polar Surface Area

83.410

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D349-3102 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D349-3102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-3102?
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What is the minimum amount of D349-3102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-3102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-3102
  • 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 D349-3102 available by request