8006-7874 Screening compound: N-(1-{N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(4-hydroxyphenyl)ethyl)-3,5-dinitrobenzamide

8006-7874 Screening compound: N-(1-{N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(4-hydroxyphenyl)ethyl)-3,5-dinitrobenzamide
8006-7874 Screening compound: N-(1-{N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(4-hydroxyphenyl)ethyl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7874
N-(1-{N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(4-hydroxyphenyl)ethyl)-3,5-dinitrobenzamide

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

8006-7874

Molecular Formula

C25H23N5O9 (C25 H23 N5 O9)

Compound Name

N-(1-{N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(4-hydroxyphenyl)ethyl)-3,5-dinitrobenzamide

IUPAC name

N-(1-{N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(4-hydroxyphenyl)ethyl)-35-dinitrobenzamide

SMILES

CCOc(cc(/C=N/NC(C(Cc(cc1)ccc1O)NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)=O)cc1)c1O

InChI

InChI=1S/C25H23N5O9/c1-2-39-23-10-16(5-8-22(23)32)14-26-28-25(34)21(9-15-3-6-20(31)7-4-15)27-24(33)17-11-18(29(35)36)13-19(12-17)30(37)38/h3-8,10-14,21,31-32H,2,9H2,1H3,(H,27,33)(H,28,34)/t21-/m0/s1

InChI Key

VCZXETSKJBMDDV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00471272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.49

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.113

Distribution Coefficient, logD

3.112

Water Solubility, LogSw

-3.11

Polar Surface Area

167.736

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

8006-7874 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 8006-7874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7874?
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What is the minimum amount of 8006-7874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7874
  • 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 8006-7874 available by request