2039-0494 Screening compound: N'-[(E)-(2,4-dichloro-5-nitrophenyl)methylidene]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetohydrazide

2039-0494 Screening compound: N'-[(E)-(2,4-dichloro-5-nitrophenyl)methylidene]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetohydrazide
2039-0494 Screening compound: N'-[(E)-(2,4-dichloro-5-nitrophenyl)methylidene]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0494
N'-[(E)-(2,4-dichloro-5-nitrophenyl)methylidene]-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)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

2039-0494

Molecular Formula

C16H11Cl2N7O3 (C16 H11 Cl2 N7 O3)

Compound Name

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

IUPAC name

N'-[(E)-(24-dichloro-5-nitrophenyl)methylidene]-2-(5-phenyl-2H-1234-tetrazol-2-yl)acetohydrazide

SMILES

[O-][N+](c(cc(/C=N/NC(Cn1nnc(-c2ccccc2)n1)=O)c(Cl)c1)c1Cl)=O

InChI

InChI=1S/C16H11Cl2N7O3/c17-12-7-13(18)14(25(27)28)6-11(12)8-19-20-15(26)9-24-22-16(21-23-24)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,26)

InChI Key

CMDAWLVABFBMMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00606225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.21

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-4.18

Polar Surface Area

106.796

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

2039-0494 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2039-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0494?
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What is the minimum amount of 2039-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0494
  • 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 2039-0494 available by request