2083-0535 Screening compound: (Z)-1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine

2083-0535 Screening compound: (Z)-1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine
2083-0535 Screening compound: (Z)-1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-0535
(Z)-1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine

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

2083-0535

Molecular Formula

C13H8ClN5O3 (C13 H8 ClN5 O3)

Compound Name

(Z)-1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine

IUPAC name

(Z)-1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(4H-124-triazol-4-yl)methanimine

SMILES

[O-][N+](c(cc1)cc(-c2ccc(/C=N\n3cnnc3)o2)c1Cl)=O

InChI

InChI=1S/C13H8ClN5O3/c14-12-3-1-9(19(20)21)5-11(12)13-4-2-10(22-13)6-17-18-7-15-16-8-18/h1-8H

InChI Key

LEWBNSYNYCHEOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01347153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-3.47

Polar Surface Area

75.157

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2083-0535 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2083-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-0535?
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What is the minimum amount of 2083-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-0535
  • 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 2083-0535 available by request