D349-3341 Screening compound: 2-nitro-N-(prop-2-en-1-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline

D349-3341 Screening compound: 2-nitro-N-(prop-2-en-1-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
D349-3341 Screening compound: 2-nitro-N-(prop-2-en-1-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-3341
2-nitro-N-(prop-2-en-1-yl)-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

D349-3341

Molecular Formula

C16H13N5O3 (C16 H13 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H13N5O3/c1-2-7-18-13-4-3-12(10-14(13)21(22)23)16-19-15(20-24-16)11-5-8-17-9-6-11/h2-6,8-10,18H,1,7H2

InChI Key

LAVBLLCGBMLUND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.31

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

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.34

Polar Surface Area

83.803

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D349-3341 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D349-3341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-3341?
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What is the minimum amount of D349-3341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-3341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-3341
  • 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 D349-3341 available by request