3253-3536 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]acetohydrazide

3253-3536 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]acetohydrazide
3253-3536 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-3536
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]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

3253-3536

Molecular Formula

C25H23N5O3S (C25 H23 N5 O3 S)

Compound Name

2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]acetohydrazide

IUPAC name

2-[(45-diphenyl-4H-124-triazol-3-yl)sulfanyl]-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]acetohydrazide

SMILES

CCOc(cc(/C=N/NC(CSc1nnc(-c2ccccc2)n1-c1ccccc1)=O)cc1)c1O

InChI

InChI=1S/C25H23N5O3S/c1-2-33-22-15-18(13-14-21(22)31)16-26-27-23(32)17-34-25-29-28-24(19-9-5-3-6-10-19)30(25)20-11-7-4-8-12-20/h3-16,31H,2,17H2,1H3,(H,27,32)

InChI Key

WSSNJYDCPFXRTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01913776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-3.81

Polar Surface Area

83.845

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 3253-3536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-3536?
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What is the minimum amount of 3253-3536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-3536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-3536
  • 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 3253-3536 available by request