8003-2742 Screening compound: N-[(1E)-1-{N'-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

8003-2742 Screening compound: N-[(1E)-1-{N'-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide
8003-2742 Screening compound: N-[(1E)-1-{N'-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-2742
N-[(1E)-1-{N'-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)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

8003-2742

Molecular Formula

C22H18N4O6S (C22 H18 N4 O6 S)

Compound Name

N-[(1E)-1-{N'-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

IUPAC name

N-[(1E)-1-{N'-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

SMILES

COc(c([N+]([O-])=O)c(/C=N/NC(/C(/NC(c1ccccc1)=O)=C\c1cccs1)=O)cc1)c1O

InChI

InChI=1S/C22H18N4O6S/c1-32-20-18(27)10-9-15(19(20)26(30)31)13-23-25-22(29)17(12-16-8-5-11-33-16)24-21(28)14-6-3-2-4-7-14/h2-13,27H,1H3,(H,24,28)(H,25,29)

InChI Key

UXMZFPDGVQQYHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

2.872

Water Solubility, LogSw

-3.90

Polar Surface Area

115.542

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8003-2742 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-2742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-2742?
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What is the minimum amount of 8003-2742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-2742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-2742
  • 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 8003-2742 available by request