3254-1632 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide

3254-1632 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
3254-1632 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1632
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)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

3254-1632

Molecular Formula

C27H26N6O3S (C27 H26 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(N/N=C/c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C27H26N6O3S/c1-27(2,3)21-14-12-20(13-15-21)25-30-31-26(32(25)22-9-5-4-6-10-22)37-18-24(34)29-28-17-19-8-7-11-23(16-19)33(35)36/h4-17H,18H2,1-3H3,(H,29,34)

InChI Key

ZCUUHAPTVVLVTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.260

Distribution Coefficient, logD

6.260

Water Solubility, LogSw

-5.54

Polar Surface Area

93.468

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

3254-1632 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3254-1632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1632?
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What is the minimum amount of 3254-1632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1632
  • 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 3254-1632 available by request