2079-0121 Screening compound: 2-chloro-N-{3-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxy-3-nitrophenyl}methylidene)amino]phenyl}benzamide

2079-0121 Screening compound: 2-chloro-N-{3-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxy-3-nitrophenyl}methylidene)amino]phenyl}benzamide
2079-0121 Screening compound: 2-chloro-N-{3-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxy-3-nitrophenyl}methylidene)amino]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2079-0121
2-chloro-N-{3-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxy-3-nitrophenyl}methylidene)amino]phenyl}benzamide

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

2079-0121

Molecular Formula

C27H19Cl2N3O4 (C27 H19 Cl2 N3 O4)

Compound Name

2-chloro-N-{3-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxy-3-nitrophenyl}methylidene)amino]phenyl}benzamide

IUPAC name

2-chloro-N-{3-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxy-3-nitrophenyl}methylidene)amino]phenyl}benzamide

SMILES

[O-][N+](c1cc(Cc(cccc2)c2Cl)cc(/C=N/c2cccc(NC(c(cccc3)c3Cl)=O)c2)c1O)=O

InChI

InChI=1S/C27H19Cl2N3O4/c28-23-10-3-1-6-18(23)12-17-13-19(26(33)25(14-17)32(35)36)16-30-20-7-5-8-21(15-20)31-27(34)22-9-2-4-11-24(22)29/h1-11,13-16,33H,12H2,(H,31,34)

InChI Key

YAVWIUFABYRDPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01167119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.276

Distribution Coefficient, logD

5.474

Water Solubility, LogSw

-6.01

Polar Surface Area

79.745

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

2079-0121 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2079-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2079-0121?
Check Price and Availability of 2079-0121, 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 2079-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2079-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2079-0121
  • 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 2079-0121 available by request