2219-0130 Screening compound: 4-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

2219-0130 Screening compound: 4-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
2219-0130 Screening compound: 4-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2219-0130
4-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

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

2219-0130

Molecular Formula

C16H14BrN3O2S (C16 H14 BrN3 O2 S)

Compound Name

4-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-(4-bromophenyl)-5-(34-dimethoxyphenyl)-4H-124-triazole-3-thiol

SMILES

COc(ccc(-c(n1-c(cc2)ccc2Br)nnc1S)c1)c1OC

InChI

InChI=1S/C16H14BrN3O2S/c1-21-13-8-3-10(9-14(13)22-2)15-18-19-16(23)20(15)12-6-4-11(17)5-7-12/h3-9H,1-2H3,(H,19,23)

InChI Key

DYHZMZSKDGVINI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01408812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-4.14

Polar Surface Area

38.719

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2219-0130 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2219-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2219-0130?
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What is the minimum amount of 2219-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2219-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2219-0130
  • 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 2219-0130 available by request