2079-0198 Screening compound: 4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

2079-0198 Screening compound: 4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol
2079-0198 Screening compound: 4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2079-0198
4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

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

2079-0198

Molecular Formula

C28H20BrClN2O3 (C28 H20 BrClN2 O3)

Compound Name

4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

IUPAC name

4-[(E)-({3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(5-methyl-13-benzoxazol-2-yl)phenol

SMILES

Cc(cc1)cc2c1oc(-c(cc(cc1)/N=C/c3cc(Cc(cccc4)c4Cl)cc(Br)c3O)c1O)n2

InChI

InChI=1S/C28H20BrClN2O3/c1-16-6-9-26-24(10-16)32-28(35-26)21-14-20(7-8-25(21)33)31-15-19-12-17(13-22(29)27(19)34)11-18-4-2-3-5-23(18)30/h2-10,12-15,33-34H,11H2,1H3

InChI Key

IVUTZXKXTSUOFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01169230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.244

Distribution Coefficient, logD

7.916

Water Solubility, LogSw

-6.11

Polar Surface Area

56.932

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2079-0198 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2079-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2079-0198?
Check Price and Availability of 2079-0198, 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 2079-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2079-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2079-0198
  • 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 2079-0198 available by request