2083-0536 Screening compound: (Z)-1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine

2083-0536 Screening compound: (Z)-1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine
2083-0536 Screening compound: (Z)-1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-0536
(Z)-1-[5-(2-bromo-4-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

2083-0536

Molecular Formula

C13H8BrN5O3 (C13 H8 BrN5 O3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=N\n2cnnc2)o1)=O

InChI

InChI=1S/C13H8BrN5O3/c14-12-5-9(19(20)21)1-3-11(12)13-4-2-10(22-13)6-17-18-7-15-16-8-18/h1-8H

InChI Key

XZDNFGFNLDWJAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01157221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.14

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

2.784

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.34

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

2083-0536 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 2083-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-0536?
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What is the minimum amount of 2083-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-0536
  • 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 2083-0536 available by request