4327-0780 Screening compound: 4-{2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy}-1,2,5-oxadiazol-3-amine

4327-0780 Screening compound: 4-{2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy}-1,2,5-oxadiazol-3-amine
4327-0780 Screening compound: 4-{2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-0780
4-{2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy}-1,2,5-oxadiazol-3-amine

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

4327-0780

Molecular Formula

C17H19N7O4 (C17 H19 N7 O4)

Compound Name

4-{2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy}-1,2,5-oxadiazol-3-amine

IUPAC name

4-{2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy}-125-oxadiazol-3-amine

SMILES

Nc1nonc1OCCN(CC1)CCN1c(c1ncccc11)ccc1[N+]([O-])=O

InChI

InChI=1S/C17H19N7O4/c18-16-17(21-28-20-16)27-11-10-22-6-8-23(9-7-22)14-4-3-13(24(25)26)12-2-1-5-19-15(12)14/h1-5H,6-11H2,(H2,18,20)

InChI Key

WHIBHRQRVVBKHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00607540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.019

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-2.23

Polar Surface Area

114.012

Acid Dissociation Constant (pKa)

17.09

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

4327-0780 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4327-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-0780?
Check Price and Availability of 4327-0780, 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 4327-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-0780
  • 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 4327-0780 available by request