8020-1781 Screening compound: 3-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole

8020-1781 Screening compound: 3-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole
8020-1781 Screening compound: 3-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1781
3-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole

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

8020-1781

Molecular Formula

C9H8BrN3 (C9 H8 BrN3)

Compound Name

3-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole

IUPAC name

3-(2-bromophenyl)-4-methyl-4H-124-triazole

SMILES

Cn1c(-c(cccc2)c2Br)nnc1

InChI

InChI=1S/C9H8BrN3/c1-13-6-11-12-9(13)7-4-2-3-5-8(7)10/h2-6H,1H3

InChI Key

SKVSYSSOZDCPJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.09

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-1.94

Polar Surface Area

25.150

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8020-1781 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GABA Library (7115 compounds)

Soluble Diversity Library (15920 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1781?
Check Price and Availability of 8020-1781, 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 8020-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1781
  • 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 8020-1781 available by request