3254-1553 Screening compound: N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

3254-1553 Screening compound: N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
3254-1553 Screening compound: N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1553
N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}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

3254-1553

Molecular Formula

C28H28BrN5O3S (C28 H28 BrN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(N/N=C\c(cc1OC)cc(Br)c1O)=O

InChI

InChI=1S/C28H28BrN5O3S/c1-28(2,3)20-12-10-19(11-13-20)26-32-33-27(34(26)21-8-6-5-7-9-21)38-17-24(35)31-30-16-18-14-22(29)25(36)23(15-18)37-4/h5-16,36H,17H2,1-4H3,(H,31,35)

InChI Key

LXJRNQNXXLIUFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.372

Distribution Coefficient, logD

6.324

Water Solubility, LogSw

-5.39

Polar Surface Area

83.196

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3254-1553 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3254-1553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1553?
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What is the minimum amount of 3254-1553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1553
  • 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 3254-1553 available by request