2078-0119 Screening compound: N-{3-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-4-tert-butylbenzamide

2078-0119 Screening compound: N-{3-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-4-tert-butylbenzamide
2078-0119 Screening compound: N-{3-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2078-0119
N-{3-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}-4-tert-butylbenzamide

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

2078-0119

Molecular Formula

C31H28BrClN2O2 (C31 H28 BrClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1cccc(/N=C/c2cc(Cc(cccc3)c3Cl)cc(Br)c2O)c1)=O

InChI

InChI=1S/C31H28BrClN2O2/c1-31(2,3)24-13-11-21(12-14-24)30(37)35-26-9-6-8-25(18-26)34-19-23-16-20(17-27(32)29(23)36)15-22-7-4-5-10-28(22)33/h4-14,16-19,36H,15H2,1-3H3,(H,35,37)

InChI Key

CHNGKMOOLRNSDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.099

Distribution Coefficient, logD

8.772

Water Solubility, LogSw

-5.92

Polar Surface Area

46.665

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

2078-0119 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 2078-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2078-0119?
Check Price and Availability of 2078-0119, 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 2078-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2078-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2078-0119
  • 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 2078-0119 available by request