D349-2613 Screening compound: 1-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl}-4-methylpiperazine

D349-2613 Screening compound: 1-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl}-4-methylpiperazine
D349-2613 Screening compound: 1-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl}-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-2613
1-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl}-4-methylpiperazine

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

D349-2613

Molecular Formula

C20H21N5O4 (C20 H21 N5 O4)

Compound Name

1-{4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl}-4-methylpiperazine

IUPAC name

1-{4-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-2-nitrophenyl}-4-methylpiperazine

SMILES

CN(CC1)CCN1c(ccc(-c1nc(-c(cc2)ccc2OC)no1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C20H21N5O4/c1-23-9-11-24(12-10-23)17-8-5-15(13-18(17)25(26)27)20-21-19(22-29-20)14-3-6-16(28-2)7-4-14/h3-8,13H,9-12H2,1-2H3

InChI Key

MFXIDSPGVGOGOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

3.254

Water Solubility, LogSw

-4.15

Polar Surface Area

78.897

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D349-2613 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D349-2613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-2613?
Check Price and Availability of D349-2613, 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 D349-2613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-2613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-2613
  • 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 D349-2613 available by request