8004-1742 Screening compound: N-[(1Z)-2-(4-nitrophenyl)-1-{N'-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

8004-1742 Screening compound: N-[(1Z)-2-(4-nitrophenyl)-1-{N'-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide
8004-1742 Screening compound: N-[(1Z)-2-(4-nitrophenyl)-1-{N'-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1742
N-[(1Z)-2-(4-nitrophenyl)-1-{N'-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

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

8004-1742

Molecular Formula

C23H15Br3N4O5 (C23 H15 Br3 N4 O5)

Compound Name

N-[(1Z)-2-(4-nitrophenyl)-1-{N'-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

IUPAC name

N-[(1Z)-2-(4-nitrophenyl)-1-{N'-[(E)-(246-tribromo-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

SMILES

[O-][N+](c1ccc(/C=C(/C(N/N=C/c(c(Br)c(c(Br)c2)O)c2Br)=O)\NC(c2ccccc2)=O)cc1)=O

InChI

InChI=1S/C23H15Br3N4O5/c24-17-11-18(25)21(31)20(26)16(17)12-27-29-23(33)19(28-22(32)14-4-2-1-3-5-14)10-13-6-8-15(9-7-13)30(34)35/h1-12,31H,(H,28,32)(H,29,33)

InChI Key

KQBQRNCZGTWLAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00323301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

667.11

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.429

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-5.90

Polar Surface Area

106.339

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-1742 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 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 8004-1742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1742?
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What is the minimum amount of 8004-1742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1742
  • 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 8004-1742 available by request