3254-2486 Screening compound: N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

3254-2486 Screening compound: N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
3254-2486 Screening compound: N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2486
N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-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

3254-2486

Molecular Formula

C29H29N5O5S (C29 H29 N5 O5 S)

Compound Name

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

IUPAC name

N'-[(1E2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(345-trimethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetohydrazide

SMILES

COc1c(/C=C/C=N/NC(CSc2nnc(-c(cc3OC)cc(OC)c3OC)n2-c2ccccc2)=O)cccc1

InChI

InChI=1S/C29H29N5O5S/c1-36-23-15-9-8-11-20(23)12-10-16-30-31-26(35)19-40-29-33-32-28(34(29)22-13-6-5-7-14-22)21-17-24(37-2)27(39-4)25(18-21)38-3/h5-18H,19H2,1-4H3,(H,31,35)

InChI Key

AIERBNDFVBCSLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02075160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.329

Water Solubility, LogSw

-4.35

Polar Surface Area

91.326

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with 3254-2486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2486?
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What is the minimum amount of 3254-2486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2486
  • 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 3254-2486 available by request