3253-5782 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide

3253-5782 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
3253-5782 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-5782
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(1-methyl-1H-pyrrol-2-yl)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

3253-5782

Molecular Formula

C23H22N6O2S (C23 H22 N6 O2 S)

Compound Name

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

IUPAC name

2-{[5-(4-methoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N'-[(Z)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide

SMILES

Cn1c(/C=N\NC(CSc2nnc(-c(cc3)ccc3OC)n2-c2ccccc2)=O)ccc1

InChI

InChI=1S/C23H22N6O2S/c1-28-14-6-9-19(28)15-24-25-21(30)16-32-23-27-26-22(17-10-12-20(31-2)13-11-17)29(23)18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,25,30)

InChI Key

BFSHQDFPSBMKTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01915103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-4.26

Polar Surface Area

70.528

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 3253-5782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-5782?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-5782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-5782
  • 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 3253-5782 available by request