2219-0154 Screening compound: 4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol

2219-0154 Screening compound: 4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
2219-0154 Screening compound: 4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2219-0154
4-(4-methoxyphenyl)-5-[(3-methylphenoxy)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

2219-0154

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol

IUPAC name

4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-4H-124-triazole-3-thiol

SMILES

Cc1cccc(OCc(n2-c(cc3)ccc3OC)nnc2S)c1

InChI

InChI=1S/C17H17N3O2S/c1-12-4-3-5-15(10-12)22-11-16-18-19-17(23)20(16)13-6-8-14(21-2)9-7-13/h3-10H,11H2,1-2H3,(H,19,23)

InChI Key

HDOHNPZUXROXCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01408824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

1.949

Water Solubility, LogSw

-3.16

Polar Surface Area

39.477

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

2219-0154 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2219-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2219-0154?
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What is the minimum amount of 2219-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2219-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2219-0154
  • 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 2219-0154 available by request