3254-1474 Screening compound: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide

3254-1474 Screening compound: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
3254-1474 Screening compound: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1474
2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)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

3254-1474

Molecular Formula

C29H26ClN7OS (C29 H26 ClN7 OS)

Compound Name

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

IUPAC name

2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-N'-[(E)-(35-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide

SMILES

Cc1c(/C=N/NC(CSc2nnc(-c(cc3)ccc3Cl)n2-c2ccc(C)cc2)=O)c(C)nn1-c1ccccc1

InChI

InChI=1S/C29H26ClN7OS/c1-19-9-15-24(16-10-19)36-28(22-11-13-23(30)14-12-22)33-34-29(36)39-18-27(38)32-31-17-26-20(2)35-37(21(26)3)25-7-5-4-6-8-25/h4-17H,18H2,1-3H3,(H,32,38)

InChI Key

SJQYPPGINQBGIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.09

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.165

Distribution Coefficient, logD

6.161

Water Solubility, LogSw

-6.22

Polar Surface Area

74.504

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with 3254-1474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1474?
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What is the minimum amount of 3254-1474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1474
  • 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 3254-1474 available by request