2078-0112 Screening compound: N-{4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-2,4-dichlorobenzamide

2078-0112 Screening compound: N-{4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-2,4-dichlorobenzamide
2078-0112 Screening compound: N-{4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-2,4-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2078-0112
N-{4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-2,4-dichlorobenzamide

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

2078-0112

Molecular Formula

C27H18BrCl3N2O2 (C27 H18 BrCl3 N2 O2)

Compound Name

N-{4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-2,4-dichlorobenzamide

IUPAC name

N-{4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-24-dichlorobenzamide

SMILES

Oc(c(/C=N/c(cc1)ccc1NC(c(ccc(Cl)c1)c1Cl)=O)cc(Cc(cccc1)c1Cl)c1)c1Br

InChI

InChI=1S/C27H18BrCl3N2O2/c28-23-13-16(11-17-3-1-2-4-24(17)30)12-18(26(23)34)15-32-20-6-8-21(9-7-20)33-27(35)22-10-5-19(29)14-25(22)31/h1-10,12-15,34H,11H2,(H,33,35)

InChI Key

PWOYCSQUNHNDHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.239

Distribution Coefficient, logD

7.911

Water Solubility, LogSw

-6.29

Polar Surface Area

46.665

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

2078-0112 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2078-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2078-0112?
Check Price and Availability of 2078-0112, 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 2078-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2078-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2078-0112
  • 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 2078-0112 available by request