3254-2488 Screening compound: 2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-phenylethylidene]acetohydrazide

3254-2488 Screening compound: 2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-phenylethylidene]acetohydrazide
3254-2488 Screening compound: 2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-phenylethylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2488
2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-phenylethylidene]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

3254-2488

Molecular Formula

C27H27N5O4S (C27 H27 N5 O4 S)

Compound Name

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

IUPAC name

2-{[4-phenyl-5-(345-trimethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-phenylethylidene]acetohydrazide

SMILES

C/C(/c1ccccc1)=N/NC(CSc1nnc(-c(cc2OC)cc(OC)c2OC)n1-c1ccccc1)=O

InChI

InChI=1S/C27H27N5O4S/c1-18(19-11-7-5-8-12-19)28-29-24(33)17-37-27-31-30-26(32(27)21-13-9-6-10-14-21)20-15-22(34-2)25(36-4)23(16-20)35-3/h5-16H,17H2,1-4H3,(H,29,33)

InChI Key

LBRMLRMOLBNGMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02075161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.33

Polar Surface Area

82.352

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 3254-2488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2488?
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What is the minimum amount of 3254-2488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2488
  • 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 3254-2488 available by request