8008-5322 Screening compound: 3-[(2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine

8008-5322 Screening compound: 3-[(2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine
8008-5322 Screening compound: 3-[(2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5322
3-[(2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine

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

8008-5322

Molecular Formula

C14H13BrN6O (C14 H13 BrN6 O)

Compound Name

3-[(2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine

IUPAC name

3-[(2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-4H-124-triazol-4-amine

SMILES

Cc1nnc(N/N=C/c2ccc(-c(cc3)ccc3Br)o2)n1N

InChI

InChI=1S/C14H13BrN6O/c1-9-18-20-14(21(9)16)19-17-8-12-6-7-13(22-12)10-2-4-11(15)5-3-10/h2-8H,16H2,1H3,(H,19,20)

InChI Key

YZNZXSXYYZMSLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00606502

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

361.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.19

Polar Surface Area

73.492

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8008-5322 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-5322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5322?
Check Price and Availability of 8008-5322, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-5322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5322
  • 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 8008-5322 available by request