3254-2219 Screening compound: 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide

3254-2219 Screening compound: 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide
3254-2219 Screening compound: 2-{[5-(4-bromophenyl)-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 3254-2219
2-{[5-(4-bromophenyl)-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

3254-2219

Molecular Formula

C25H22BrN5O2S (C25 H22 BrN5 O2 S)

Compound Name

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

IUPAC name

2-{[5-(4-bromophenyl)-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)ccc2Br)n1-c1ccccc1)=O

InChI

InChI=1S/C25H22BrN5O2S/c1-17(18-10-14-22(33-2)15-11-18)27-28-23(32)16-34-25-30-29-24(19-8-12-20(26)13-9-19)31(25)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,28,32)

InChI Key

KLXBTFXSWWBVOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02074945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.656

Distribution Coefficient, logD

5.656

Water Solubility, LogSw

-5.52

Polar Surface Area

66.918

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 3254-2219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2219?
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What is the minimum amount of 3254-2219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2219
  • 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 3254-2219 available by request