8004-5759 Screening compound: N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide

8004-5759 Screening compound: N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide
8004-5759 Screening compound: N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5759
N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide

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

8004-5759

Molecular Formula

C21H25ClN2O4 (C21 H25 ClN2 O4)

Compound Name

N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide

IUPAC name

N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide

SMILES

CCOc1cc(/C=N/NC(COc2c(C(C)C)ccc(C)c2)=O)cc(Cl)c1O

InChI

InChI=1S/C21H25ClN2O4/c1-5-27-19-10-15(9-17(22)21(19)26)11-23-24-20(25)12-28-18-8-14(4)6-7-16(18)13(2)3/h6-11,13,26H,5,12H2,1-4H3,(H,24,25)

InChI Key

KIGKQFKTXOMRKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.730

Distribution Coefficient, logD

5.706

Water Solubility, LogSw

-5.51

Polar Surface Area

65.616

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8004-5759 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 8004-5759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5759?
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What is the minimum amount of 8004-5759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5759
  • 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 8004-5759 available by request