3254-2813 Screening compound: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

3254-2813 Screening compound: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
3254-2813 Screening compound: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2813
N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-(4-chlorophenyl)-5-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

3254-2813

Molecular Formula

C23H16Cl2N6O3S (C23 H16 Cl2 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(/C=N/NC(CSc2nnc(-c3ccccc3)n2-c(cc2)ccc2Cl)=O)c1Cl)=O

InChI

InChI=1S/C23H16Cl2N6O3S/c24-17-6-8-18(9-7-17)30-22(15-4-2-1-3-5-15)28-29-23(30)35-14-21(32)27-26-13-16-12-19(31(33)34)10-11-20(16)25/h1-13H,14H2,(H,27,32)

InChI Key

CCPYOWVVFWBNPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02075606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.013

Distribution Coefficient, logD

6.011

Water Solubility, LogSw

-6.19

Polar Surface Area

93.468

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3254-2813 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3254-2813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2813?
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What is the minimum amount of 3254-2813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2813
  • 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 3254-2813 available by request