3253-5722 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(2-nitrophenyl)methylidene]acetohydrazide

3253-5722 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(2-nitrophenyl)methylidene]acetohydrazide
3253-5722 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(2-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-5722
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(2-nitrophenyl)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

3253-5722

Molecular Formula

C24H20N6O4S (C24 H20 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(N/N=C\c(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C24H20N6O4S/c1-34-20-13-11-17(12-14-20)23-27-28-24(29(23)19-8-3-2-4-9-19)35-16-22(31)26-25-15-18-7-5-6-10-21(18)30(32)33/h2-15H,16H2,1H3,(H,26,31)

InChI Key

AWBHWCIGDUWIQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01915053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.37

Polar Surface Area

100.711

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 3253-5722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-5722?
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What is the minimum amount of 3253-5722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-5722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-5722
  • 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 3253-5722 available by request