2357-3319 Screening compound: N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

2357-3319 Screening compound: N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
2357-3319 Screening compound: N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2357-3319
N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-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

2357-3319

Molecular Formula

C29H28BrN5O3S (C29 H28 BrN5 O3 S)

Compound Name

N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

IUPAC name

N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}acetohydrazide

SMILES

CC(Cn1c(SCC(N/N=C/c(cc2)cc(OC)c2OCc2ccccc2)=O)nnc1-c(cc1)ccc1Br)=C

InChI

InChI=1S/C29H28BrN5O3S/c1-20(2)17-35-28(23-10-12-24(30)13-11-23)33-34-29(35)39-19-27(36)32-31-16-22-9-14-25(26(15-22)37-3)38-18-21-7-5-4-6-8-21/h4-16H,1,17-19H2,2-3H3,(H,32,36)

InChI Key

KOCYTSTZWMVYBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.584

Distribution Coefficient, logD

6.584

Water Solubility, LogSw

-5.71

Polar Surface Area

74.559

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with 2357-3319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2357-3319?
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What is the minimum amount of 2357-3319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2357-3319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2357-3319
  • 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 2357-3319 available by request