3253-7814 Screening compound: 2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide

3253-7814 Screening compound: 2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide
3253-7814 Screening compound: 2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-7814
2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(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

3253-7814

Molecular Formula

C24H20N6O3S (C24 H20 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCC(N/N=C/c(cccc2)c2[N+]([O-])=O)=O)nnc1-c1ccccc1

InChI

InChI=1S/C24H20N6O3S/c1-17-11-13-20(14-12-17)29-23(18-7-3-2-4-8-18)27-28-24(29)34-16-22(31)26-25-15-19-9-5-6-10-21(19)30(32)33/h2-15H,16H2,1H3,(H,26,31)

InChI Key

GRTAPDBNACMCRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01916088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.010

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-4.70

Polar Surface Area

93.167

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 3253-7814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-7814?
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What is the minimum amount of 3253-7814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-7814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-7814
  • 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 3253-7814 available by request