5742-0467 Screening compound: 4-(4-phenoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol

5742-0467 Screening compound: 4-(4-phenoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
5742-0467 Screening compound: 4-(4-phenoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-0467
4-(4-phenoxyphenyl)-5-(thiophen-2-yl)-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

5742-0467

Molecular Formula

C18H13N3OS2 (C18 H13 N3 OS2)

Compound Name

4-(4-phenoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-(4-phenoxyphenyl)-5-(thiophen-2-yl)-4H-124-triazole-3-thiol

SMILES

Sc1nnc(-c2cccs2)n1-c(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C18H13N3OS2/c23-18-20-19-17(16-7-4-12-24-16)21(18)13-8-10-15(11-9-13)22-14-5-2-1-3-6-14/h1-12H,(H,20,23)

InChI Key

UCDQWMOHVXQLRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.727

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-4.87

Polar Surface Area

31.224

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5742-0467 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5742-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-0467?
Check Price and Availability of 5742-0467, 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 5742-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-0467
  • 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 5742-0467 available by request