Y032-0521 Screening compound: N,N-bis(4-cyanophenyl)-5-nitroisophthalamide

Y032-0521 Screening compound: N,N-bis(4-cyanophenyl)-5-nitroisophthalamide
Y032-0521 Screening compound: N,N-bis(4-cyanophenyl)-5-nitroisophthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0521
N,N-bis(4-cyanophenyl)-5-nitroisophthalamide

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

Y032-0521

Molecular Formula

C22H13N5O4 (C22 H13 N5 O4)

Compound Name

N,N-bis(4-cyanophenyl)-5-nitroisophthalamide

IUPAC name

N1N3-bis(4-cyanophenyl)-5-nitrobenzene-13-dicarboxamide

SMILES

N#Cc(cc1)ccc1NC(c1cc([N+]([O-])=O)cc(C(Nc(cc2)ccc2C#N)=O)c1)=O

InChI

InChI=1S/C22H13N5O4/c23-12-14-1-5-18(6-2-14)25-21(28)16-9-17(11-20(10-16)27(30)31)22(29)26-19-7-3-15(13-24)4-8-19/h1-11H,(H,25,28)(H,26,29)

InChI Key

VUVBBSIJFDGJQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02575684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.92

Polar Surface Area

113.915

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y032-0521 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y032-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0521?
Check Price and Availability of Y032-0521, 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 Y032-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0521
  • 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 Y032-0521 available by request