2036-0006 Screening compound: N1,N3-bis(4-methoxyphenyl)-5-(4-nitrobenzamido)benzene-1,3-dicarboxamide

2036-0006 Screening compound: N1,N3-bis(4-methoxyphenyl)-5-(4-nitrobenzamido)benzene-1,3-dicarboxamide
2036-0006 Screening compound: N1,N3-bis(4-methoxyphenyl)-5-(4-nitrobenzamido)benzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2036-0006
N1,N3-bis(4-methoxyphenyl)-5-(4-nitrobenzamido)benzene-1,3-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

2036-0006

Molecular Formula

C29H24N4O7 (C29 H24 N4 O7)

Compound Name

N1,N3-bis(4-methoxyphenyl)-5-(4-nitrobenzamido)benzene-1,3-dicarboxamide

IUPAC name

N1N3-bis(4-methoxyphenyl)-5-(4-nitrobenzamido)benzene-13-dicarboxamide

SMILES

COc(cc1)ccc1NC(c1cc(NC(c(cc2)ccc2[N+]([O-])=O)=O)cc(C(Nc(cc2)ccc2OC)=O)c1)=O

InChI

InChI=1S/C29H24N4O7/c1-39-25-11-5-21(6-12-25)30-28(35)19-15-20(29(36)31-22-7-13-26(40-2)14-8-22)17-23(16-19)32-27(34)18-3-9-24(10-4-18)33(37)38/h3-17H,1-2H3,(H,30,35)(H,31,36)(H,32,34)

InChI Key

PXDZMKMWEGBIKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00306114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.580

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-5.50

Polar Surface Area

117.981

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

References: we are preparing a list of scientific research reports with 2036-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2036-0006?
Check Price and Availability of 2036-0006, 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 2036-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2036-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2036-0006
  • 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 2036-0006 available by request