3253-3726 Screening compound: 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(furan-2-yl)ethylidene]acetohydrazide

3253-3726 Screening compound: 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(furan-2-yl)ethylidene]acetohydrazide
3253-3726 Screening compound: 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(furan-2-yl)ethylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-3726
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(furan-2-yl)ethylidene]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

3253-3726

Molecular Formula

C22H18ClN5O2S (C22 H18 ClN5 O2 S)

Compound Name

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

IUPAC name

2-{[5-(4-chlorophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(furan-2-yl)ethylidene]acetohydrazide

SMILES

C/C(/c1ccco1)=N\NC(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccccc1)=O

InChI

InChI=1S/C22H18ClN5O2S/c1-15(19-8-5-13-30-19)24-25-20(29)14-31-22-27-26-21(16-9-11-17(23)12-10-16)28(22)18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,25,29)

InChI Key

IWCLMZIRDACZIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01913803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.87

Polar Surface Area

67.953

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 3253-3726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-3726?
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What is the minimum amount of 3253-3726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-3726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-3726
  • 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 3253-3726 available by request