3254-1614 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]acetohydrazide

3254-1614 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]acetohydrazide
3254-1614 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1614
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-[4-(diethylamino)-2-hydroxyphenyl]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

3254-1614

Molecular Formula

C31H36N6O2S (C31 H36 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1cc(O)c(/C=N/NC(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)=O)cc1

InChI

InChI=1S/C31H36N6O2S/c1-6-36(7-2)26-18-15-23(27(38)19-26)20-32-33-28(39)21-40-30-35-34-29(37(30)25-11-9-8-10-12-25)22-13-16-24(17-14-22)31(3,4)5/h8-20,38H,6-7,21H2,1-5H3,(H,33,39)

InChI Key

HFQCAEUACATLEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.143

Distribution Coefficient, logD

7.142

Water Solubility, LogSw

-5.42

Polar Surface Area

79.371

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

3254-1614 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3254-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1614?
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What is the minimum amount of 3254-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1614
  • 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 3254-1614 available by request