1123-0345 Screening compound: N'-[(E)-(2-nitrophenyl)methylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide

1123-0345 Screening compound: N'-[(E)-(2-nitrophenyl)methylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide
1123-0345 Screening compound: N'-[(E)-(2-nitrophenyl)methylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1123-0345
N'-[(E)-(2-nitrophenyl)methylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide

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

1123-0345

Molecular Formula

C16H13N7O3S (C16 H13 N7 O3 S)

Compound Name

N'-[(E)-(2-nitrophenyl)methylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide

IUPAC name

N'-[(E)-(2-nitrophenyl)methylidene]-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetohydrazide

SMILES

[O-][N+](c1c(/C=N/NC(CSc2nnnn2-c2ccccc2)=O)cccc1)=O

InChI

InChI=1S/C16H13N7O3S/c24-15(18-17-10-12-6-4-5-9-14(12)23(25)26)11-27-16-19-20-21-22(16)13-7-2-1-3-8-13/h1-10H,11H2,(H,18,24)

InChI Key

KGULYHQMAJECCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00768933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-3.10

Polar Surface Area

108.343

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 1123-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1123-0345?
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What is the minimum amount of 1123-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1123-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1123-0345
  • 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 1123-0345 available by request