5742-0469 Screening compound: 4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol

5742-0469 Screening compound: 4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5742-0469 Screening compound: 4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-0469
4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-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

5742-0469

Molecular Formula

C17H19N3S2 (C17 H19 N3 S2)

Compound Name

4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol

IUPAC name

4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-4H-124-triazole-3-thiol

SMILES

CCCCc(cc1)ccc1-n1c(S)nnc1Cc1cccs1

InChI

InChI=1S/C17H19N3S2/c1-2-3-5-13-7-9-14(10-8-13)20-16(18-19-17(20)21)12-15-6-4-11-22-15/h4,6-11H,2-3,5,12H2,1H3,(H,19,21)

InChI Key

HWJISTMCCXOCBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

3.264

Water Solubility, LogSw

-4.34

Polar Surface Area

25.452

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

5742-0469 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5742-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-0469?
Check Price and Availability of 5742-0469, 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 5742-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-0469
  • 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 5742-0469 available by request