3253-5786 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide

3253-5786 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide
3253-5786 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-5786
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide

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

3253-5786

Molecular Formula

C26H25N5O3S (C26 H25 N5 O3 S)

Compound Name

2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide

IUPAC name

2-{[5-(4-methoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide

SMILES

C/C(/c(cc1)ccc1OC)=N/NC(CSc1nnc(-c(cc2)ccc2OC)n1-c1ccccc1)=O

InChI

InChI=1S/C26H25N5O3S/c1-18(19-9-13-22(33-2)14-10-19)27-28-24(32)17-35-26-30-29-25(20-11-15-23(34-3)16-12-20)31(26)21-7-5-4-6-8-21/h4-16H,17H2,1-3H3,(H,28,32)

InChI Key

RFRQAHRELMETGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01915107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.58

Polar Surface Area

74.462

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3253-5786 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3253-5786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-5786?
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What is the minimum amount of 3253-5786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-5786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-5786
  • 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 3253-5786 available by request