4228-0878 Screening compound: 4-({2-methoxy-4-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]phenoxy}methyl)benzoic acid

4228-0878 Screening compound: 4-({2-methoxy-4-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]phenoxy}methyl)benzoic acid
4228-0878 Screening compound: 4-({2-methoxy-4-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]phenoxy}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4228-0878
4-({2-methoxy-4-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]phenoxy}methyl)benzoic acid

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

4228-0878

Molecular Formula

C23H22N2O6S (C23 H22 N2 O6 S)

Compound Name

4-({2-methoxy-4-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]phenoxy}methyl)benzoic acid

IUPAC name

4-({2-methoxy-4-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]phenoxy}methyl)benzoic acid

SMILES

Cc(cc1)ccc1S(N/N=C/c(cc1)cc(OC)c1OCc(cc1)ccc1C(O)=O)(=O)=O

InChI

InChI=1S/C23H22N2O6S/c1-16-3-10-20(11-4-16)32(28,29)25-24-14-18-7-12-21(22(13-18)30-2)31-15-17-5-8-19(9-6-17)23(26)27/h3-14,25H,15H2,1-2H3,(H,26,27)

InChI Key

BVZDVHBLSQVAHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-4.34

Polar Surface Area

94.181

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4228-0878 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 4228-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4228-0878?
Check Price and Availability of 4228-0878, 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 4228-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4228-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4228-0878
  • 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 4228-0878 available by request