3254-1555 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide

3254-1555 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
3254-1555 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1555
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)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

3254-1555

Molecular Formula

C30H33N5O3S (C30 H33 N5 O3 S)

Compound Name

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide

IUPAC name

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide

SMILES

CCOc(ccc(/C=N/NC(CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C30H33N5O3S/c1-6-38-25-17-12-21(18-26(25)37-5)19-31-32-27(36)20-39-29-34-33-28(35(29)24-10-8-7-9-11-24)22-13-15-23(16-14-22)30(2,3)4/h7-19H,6,20H2,1-5H3,(H,32,36)

InChI Key

QMIFQHMPOICHCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.396

Distribution Coefficient, logD

6.396

Water Solubility, LogSw

-5.69

Polar Surface Area

74.927

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 3254-1555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1555?
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What is the minimum amount of 3254-1555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1555
  • 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 3254-1555 available by request