D349-2845 Screening compound: 2-nitro-N-[(pyridin-3-yl)methyl]-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline

D349-2845 Screening compound: 2-nitro-N-[(pyridin-3-yl)methyl]-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
D349-2845 Screening compound: 2-nitro-N-[(pyridin-3-yl)methyl]-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-2845
2-nitro-N-[(pyridin-3-yl)methyl]-4-[3-(3,4,5-trimethoxyphenyl)-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

D349-2845

Molecular Formula

C23H21N5O6 (C23 H21 N5 O6)

Compound Name

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

IUPAC name

2-nitro-N-[(pyridin-3-yl)methyl]-4-[3-(345-trimethoxyphenyl)-124-oxadiazol-5-yl]aniline

SMILES

COc1cc(-c2noc(-c(cc3)cc([N+]([O-])=O)c3NCc3cnccc3)n2)cc(OC)c1OC

InChI

InChI=1S/C23H21N5O6/c1-31-19-10-16(11-20(32-2)21(19)33-3)22-26-23(34-27-22)15-6-7-17(18(9-15)28(29)30)25-13-14-5-4-8-24-12-14/h4-12,25H,13H2,1-3H3

InChI Key

NOHSUTXEGSPJKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.62

Polar Surface Area

106.757

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D349-2845 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D349-2845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-2845?
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What is the minimum amount of D349-2845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-2845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-2845
  • 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 D349-2845 available by request