4260-0659 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole

4260-0659 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole
4260-0659 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4260-0659
3-[(3,4-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole

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

4260-0659

Molecular Formula

C17H15N3O5 (C17 H15 N3 O5)

Compound Name

3-[(3,4-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole

IUPAC name

3-[(34-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-124-oxadiazole

SMILES

COc(ccc(Cc1noc(-c(cc2)ccc2[N+]([O-])=O)n1)c1)c1OC

InChI

InChI=1S/C17H15N3O5/c1-23-14-8-3-11(9-15(14)24-2)10-16-18-17(25-19-16)12-4-6-13(7-5-12)20(21)22/h3-9H,10H2,1-2H3

InChI Key

ITJQWAPFYOTFMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01624396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.58

Polar Surface Area

81.277

Acid Dissociation Constant (pKa)

32.02

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4260-0659 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4260-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4260-0659?
Check Price and Availability of 4260-0659, 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 4260-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4260-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4260-0659
  • 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 4260-0659 available by request