8003-8840 Screening compound: N-(1-{N'-[(E)-{4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-(4-hydroxyphenyl)ethyl)-3,5-dinitrobenzamide

8003-8840 Screening compound: N-(1-{N'-[(E)-{4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-(4-hydroxyphenyl)ethyl)-3,5-dinitrobenzamide
8003-8840 Screening compound: N-(1-{N'-[(E)-{4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-(4-hydroxyphenyl)ethyl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8840
N-(1-{N'-[(E)-{4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}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

8003-8840

Molecular Formula

C31H26BrN5O9 (C31 H26 BrN5 O9)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=N/NC(C(Cc(cc1)ccc1O)NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)=O)cc1)c1OCc(cc1)ccc1Br

InChI

InChI=1S/C31H26BrN5O9/c1-45-29-13-21(6-11-28(29)46-18-20-2-7-23(32)8-3-20)17-33-35-31(40)27(12-19-4-9-26(38)10-5-19)34-30(39)22-14-24(36(41)42)16-25(15-22)37(43)44/h2-11,13-17,27,38H,12,18H2,1H3,(H,34,39)(H,35,40)/t27-/m0/s1

InChI Key

KXZQVDDJXFTAGM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD00471252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

692.48

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

5.386

Distribution Coefficient, logD

5.385

Water Solubility, LogSw

-5.36

Polar Surface Area

158.923

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

8003-8840 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8003-8840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8840?
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What is the minimum amount of 8003-8840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8840
  • 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 8003-8840 available by request