0382-0020 Screening compound: N1,N4-bis(2,4-dinitrophenyl)benzene-1,4-dicarboxamide

0382-0020 Screening compound: N1,N4-bis(2,4-dinitrophenyl)benzene-1,4-dicarboxamide
0382-0020 Screening compound: N1,N4-bis(2,4-dinitrophenyl)benzene-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0382-0020
N1,N4-bis(2,4-dinitrophenyl)benzene-1,4-dicarboxamide

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

0382-0020

Molecular Formula

C20H12N6O10 (C20 H12 N6 O10)

Compound Name

N1,N4-bis(2,4-dinitrophenyl)benzene-1,4-dicarboxamide

IUPAC name

N1N4-bis(24-dinitrophenyl)benzene-14-dicarboxamide

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1NC(c(cc1)ccc1C(Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O)=O)=O

InChI

InChI=1S/C20H12N6O10/c27-19(21-15-7-5-13(23(29)30)9-17(15)25(33)34)11-1-2-12(4-3-11)20(28)22-16-8-6-14(24(31)32)10-18(16)26(35)36/h1-10H,(H,21,27)(H,22,28)

InChI Key

WXZHCXCEWPJJHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00496586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.35

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

0.790

Water Solubility, LogSw

-4.26

Polar Surface Area

177.949

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

-10.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0382-0020 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 0382-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0382-0020?
Check Price and Availability of 0382-0020, 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 0382-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0382-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0382-0020
  • 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 0382-0020 available by request