8005-7676 Screening compound: N-[(1E)-2-(2H-1,3-benzodioxol-5-yl)-1-{N'-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

8005-7676 Screening compound: N-[(1E)-2-(2H-1,3-benzodioxol-5-yl)-1-{N'-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide
8005-7676 Screening compound: N-[(1E)-2-(2H-1,3-benzodioxol-5-yl)-1-{N'-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7676
N-[(1E)-2-(2H-1,3-benzodioxol-5-yl)-1-{N'-[(E)-(2,4-dimethoxy-5-nitrophenyl)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

8005-7676

Molecular Formula

C26H22N4O8 (C26 H22 N4 O8)

Compound Name

N-[(1E)-2-(2H-1,3-benzodioxol-5-yl)-1-{N'-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

IUPAC name

N-[(1E)-2-(2H-13-benzodioxol-5-yl)-1-{N'-[(E)-(24-dimethoxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

SMILES

COc(c(/C=N/NC(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)=O)c1)cc(OC)c1[N+]([O-])=O

InChI

InChI=1S/C26H22N4O8/c1-35-22-13-23(36-2)20(30(33)34)12-18(22)14-27-29-26(32)19(28-25(31)17-6-4-3-5-7-17)10-16-8-9-21-24(11-16)38-15-37-21/h3-14H,15H2,1-2H3,(H,28,31)(H,29,32)

InChI Key

VRDTXUWGJPYZPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-4.40

Polar Surface Area

122.936

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8005-7676 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 8005-7676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7676?
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What is the minimum amount of 8005-7676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7676
  • 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 8005-7676 available by request