5496-0410 Screening compound: 2,3-dimethoxy-6-[(E)-{2-[(2Z)-5-{[(4-methylphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]hydrazin-1-ylidene}methyl]benzoic acid

5496-0410 Screening compound: 2,3-dimethoxy-6-[(E)-{2-[(2Z)-5-{[(4-methylphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]hydrazin-1-ylidene}methyl]benzoic acid
5496-0410 Screening compound: 2,3-dimethoxy-6-[(E)-{2-[(2Z)-5-{[(4-methylphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]hydrazin-1-ylidene}methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5496-0410
2,3-dimethoxy-6-[(E)-{2-[(2Z)-5-{[(4-methylphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]hydrazin-1-ylidene}methyl]benzoic acid

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

5496-0410

Molecular Formula

C22H22N4O6S (C22 H22 N4 O6 S)

Compound Name

2,3-dimethoxy-6-[(E)-{2-[(2Z)-5-{[(4-methylphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]hydrazin-1-ylidene}methyl]benzoic acid

IUPAC name

23-dimethoxy-6-[(E)-{2-[(2Z)-5-{[(4-methylphenyl)carbamoyl]methyl}-4-oxo-13-thiazolidin-2-ylidene]hydrazin-1-ylidene}methyl]benzoic acid

SMILES

Cc(cc1)ccc1NC(CC(C(N1)=O)S/C1=N\N=C\c(cc1)c(C(O)=O)c(OC)c1OC)=O

InChI

InChI=1S/C22H22N4O6S/c1-12-4-7-14(8-5-12)24-17(27)10-16-20(28)25-22(33-16)26-23-11-13-6-9-15(31-2)19(32-3)18(13)21(29)30/h4-9,11,16H,10H2,1-3H3,(H,24,27)(H,29,30)(H,25,26,28)/t16-/m0/s1

InChI Key

JYSLTCGRZLVMEU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03827492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

-0.579

Water Solubility, LogSw

-3.36

Polar Surface Area

111.324

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 5496-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5496-0410?
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What is the minimum amount of 5496-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5496-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5496-0410
  • 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 5496-0410 available by request