8002-0227 Screening compound: 4-[(E)-{[2-(2,4,6-trichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

8002-0227 Screening compound: 4-[(E)-{[2-(2,4,6-trichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate
8002-0227 Screening compound: 4-[(E)-{[2-(2,4,6-trichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-0227
4-[(E)-{[2-(2,4,6-trichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

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

8002-0227

Molecular Formula

C22H14BrCl3N2O4 (C22 H14 BrCl3 N2 O4)

Compound Name

4-[(E)-{[2-(2,4,6-trichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

IUPAC name

4-[(E)-{[2-(246-trichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

SMILES

O=C(COc(c(Cl)cc(Cl)c1)c1Cl)N/N=C/c(cc1)ccc1OC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C22H14BrCl3N2O4/c23-15-5-3-14(4-6-15)22(30)32-17-7-1-13(2-8-17)11-27-28-20(29)12-31-21-18(25)9-16(24)10-19(21)26/h1-11H,12H2,(H,28,29)

InChI Key

REJWSDYZRILSJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00332326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.618

Distribution Coefficient, logD

6.617

Water Solubility, LogSw

-6.56

Polar Surface Area

63.391

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8002-0227 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8002-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-0227?
Check Price and Availability of 8002-0227, 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 8002-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-0227
  • 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 8002-0227 available by request