8020-5032 Screening compound: 3-bromo-4-(4H-1,2,4-triazol-4-yl)benzoic acid

8020-5032 Screening compound: 3-bromo-4-(4H-1,2,4-triazol-4-yl)benzoic acid
8020-5032 Screening compound: 3-bromo-4-(4H-1,2,4-triazol-4-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5032
3-bromo-4-(4H-1,2,4-triazol-4-yl)benzoic acid

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

8020-5032

Molecular Formula

C9H6BrN3O2 (C9 H6 BrN3 O2)

Compound Name

3-bromo-4-(4H-1,2,4-triazol-4-yl)benzoic acid

IUPAC name

3-bromo-4-(4H-124-triazol-4-yl)benzoic acid

SMILES

OC(c(cc1)cc(Br)c1-n1cnnc1)=O

InChI

InChI=1S/C9H6BrN3O2/c10-7-3-6(9(14)15)1-2-8(7)13-4-11-12-5-13/h1-5H,(H,14,15)

InChI Key

CCNSGQLKXFBZKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12402391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.793

Distribution Coefficient, logD

-1.219

Water Solubility, LogSw

-2.04

Polar Surface Area

54.377

Acid Dissociation Constant (pKa)

4.39

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-5032 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-5032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5032?
Check Price and Availability of 8020-5032, 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 8020-5032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5032
  • 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 8020-5032 available by request