3253-5784 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide

3253-5784 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide
3253-5784 Screening compound: 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-5784
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]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

3253-5784

Molecular Formula

C27H25N5O3S (C27 H25 N5 O3 S)

Compound Name

2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide

IUPAC name

2-{[5-(4-methoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N'-[(1Z2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide

SMILES

COc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(N/N=C\C=C\c(cccc1)c1OC)=O

InChI

InChI=1S/C27H25N5O3S/c1-34-23-16-14-21(15-17-23)26-30-31-27(32(26)22-11-4-3-5-12-22)36-19-25(33)29-28-18-8-10-20-9-6-7-13-24(20)35-2/h3-18H,19H2,1-2H3,(H,29,33)

InChI Key

LQUOIGSDNLFFIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01915105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.829

Water Solubility, LogSw

-4.59

Polar Surface Area

75.892

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3253-5784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-5784?
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What is the minimum amount of 3253-5784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-5784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-5784
  • 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 3253-5784 available by request