4361-1420 Screening compound: 4-[(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)methyl]benzoic acid

4361-1420 Screening compound: 4-[(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)methyl]benzoic acid
4361-1420 Screening compound: 4-[(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4361-1420
4-[(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)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

4361-1420

Molecular Formula

C20H17BrN2O6 (C20 H17 BrN2 O6)

Compound Name

4-[(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)methyl]benzoic acid

IUPAC name

4-[(2-bromo-4-{[(4E)-25-dioxoimidazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)methyl]benzoic acid

SMILES

CCOc1cc(/C=C(\C(N2)=O)/NC2=O)cc(Br)c1OCc(cc1)ccc1C(O)=O

InChI

InChI=1S/C20H17BrN2O6/c1-2-28-16-9-12(8-15-18(24)23-20(27)22-15)7-14(21)17(16)29-10-11-3-5-13(6-4-11)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)(H2,22,23,24,27)

InChI Key

KALKZDFQSNIVEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.276

Distribution Coefficient, logD

0.304

Water Solubility, LogSw

-3.35

Polar Surface Area

92.331

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4361-1420 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 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 4361-1420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4361-1420?
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What is the minimum amount of 4361-1420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4361-1420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4361-1420
  • 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 4361-1420 available by request