2219-0194 Screening compound: bis(4-bromophenyl)-4H-1,2,4-triazole-3-thiol

2219-0194 Screening compound: bis(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
2219-0194 Screening compound: bis(4-bromophenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2219-0194
bis(4-bromophenyl)-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

2219-0194

Molecular Formula

C14H9Br2N3S (C14 H9 Br2 N3 S)

Compound Name

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

IUPAC name

bis(4-bromophenyl)-4H-124-triazole-3-thiol

SMILES

Sc1nnc(-c(cc2)ccc2Br)n1-c(cc1)ccc1Br

InChI

InChI=1S/C14H9Br2N3S/c15-10-3-1-9(2-4-10)13-17-18-14(20)19(13)12-7-5-11(16)6-8-12/h1-8H,(H,18,20)

InChI Key

YTTVCUUADSPOAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01408838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.12

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-5.10

Polar Surface Area

23.458

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2219-0194 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

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 2219-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2219-0194?
Check Price and Availability of 2219-0194, 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 2219-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2219-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2219-0194
  • 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 2219-0194 available by request