1778-0166 Screening compound: 1-(4-nitrobenzoyl)-4-(4-nitrophenyl)piperazine

1778-0166 Screening compound: 1-(4-nitrobenzoyl)-4-(4-nitrophenyl)piperazine
1778-0166 Screening compound: 1-(4-nitrobenzoyl)-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-0166
1-(4-nitrobenzoyl)-4-(4-nitrophenyl)piperazine

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

1778-0166

Molecular Formula

C17H16N4O5 (C17 H16 N4 O5)

Compound Name

1-(4-nitrobenzoyl)-4-(4-nitrophenyl)piperazine

IUPAC name

1-(4-nitrobenzoyl)-4-(4-nitrophenyl)piperazine

SMILES

[O-][N+](c(cc1)ccc1C(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C17H16N4O5/c22-17(13-1-3-15(4-2-13)20(23)24)19-11-9-18(10-12-19)14-5-7-16(8-6-14)21(25)26/h1-8H,9-12H2

InChI Key

SWSMKVMRFRXKSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00248258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-2.87

Polar Surface Area

86.910

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1778-0166 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1778-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-0166?
Check Price and Availability of 1778-0166, 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 1778-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-0166
  • 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 1778-0166 available by request