5742-1011 Screening compound: 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

5742-1011 Screening compound: 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
5742-1011 Screening compound: 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-1011
4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-4-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

5742-1011

Molecular Formula

C15H13ClN4O2S (C15 H13 ClN4 O2 S)

Compound Name

4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-(4-chloro-25-dimethoxyphenyl)-5-(pyridin-4-yl)-4H-124-triazole-3-thiol

SMILES

COc(c(-n1c(S)nnc1-c1ccncc1)c1)cc(Cl)c1OC

InChI

InChI=1S/C15H13ClN4O2S/c1-21-12-8-11(13(22-2)7-10(12)16)20-14(18-19-15(20)23)9-3-5-17-6-4-9/h3-8H,1-2H3,(H,19,23)

InChI Key

IDWOTDUFJLAIQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03612903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.791

Distribution Coefficient, logD

1.249

Water Solubility, LogSw

-3.51

Polar Surface Area

47.846

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

5742-1011 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5742-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-1011?
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What is the minimum amount of 5742-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-1011
  • 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 5742-1011 available by request