2081-1054 Screening compound: 2-chloro-N-(2-chloro-5-nitrophenyl)-5-iodobenzamide

2081-1054 Screening compound: 2-chloro-N-(2-chloro-5-nitrophenyl)-5-iodobenzamide
2081-1054 Screening compound: 2-chloro-N-(2-chloro-5-nitrophenyl)-5-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1054
2-chloro-N-(2-chloro-5-nitrophenyl)-5-iodobenzamide

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

2081-1054

Molecular Formula

C13H7Cl2IN2O3 (C13 H7 Cl2 IN2 O3)

Compound Name

2-chloro-N-(2-chloro-5-nitrophenyl)-5-iodobenzamide

IUPAC name

2-chloro-N-(2-chloro-5-nitrophenyl)-5-iodobenzamide

SMILES

[O-][N+](c(cc1)cc(NC(c(cc(cc2)I)c2Cl)=O)c1Cl)=O

InChI

InChI=1S/C13H7Cl2IN2O3/c14-10-3-1-7(16)5-9(10)13(19)17-12-6-8(18(20)21)2-4-11(12)15/h1-6H,(H,17,19)

InChI Key

CLLRKRTXPIMFBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.530

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-6.07

Polar Surface Area

56.013

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2081-1054 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 2081-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1054?
Check Price and Availability of 2081-1054, 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 2081-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1054
  • 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 2081-1054 available by request