2081-1069 Screening compound: 3-bromo-N-(2-chloro-5-nitrophenyl)-4-ethoxybenzamide

2081-1069 Screening compound: 3-bromo-N-(2-chloro-5-nitrophenyl)-4-ethoxybenzamide
2081-1069 Screening compound: 3-bromo-N-(2-chloro-5-nitrophenyl)-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1069
3-bromo-N-(2-chloro-5-nitrophenyl)-4-ethoxybenzamide

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

2081-1069

Molecular Formula

C15H12BrClN2O4 (C15 H12 BrClN2 O4)

Compound Name

3-bromo-N-(2-chloro-5-nitrophenyl)-4-ethoxybenzamide

IUPAC name

3-bromo-N-(2-chloro-5-nitrophenyl)-4-ethoxybenzamide

SMILES

CCOc(ccc(C(Nc(cc(cc1)[N+]([O-])=O)c1Cl)=O)c1)c1Br

InChI

InChI=1S/C15H12BrClN2O4/c1-2-23-14-6-3-9(7-11(14)16)15(20)18-13-8-10(19(21)22)4-5-12(13)17/h3-8H,2H2,1H3,(H,18,20)

InChI Key

NBYWNKCZVJUUGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.420

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-4.64

Polar Surface Area

63.224

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

2081-1069 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2081-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1069?
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What is the minimum amount of 2081-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1069
  • 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 2081-1069 available by request