4405-0735 Screening compound: 2-[(2E)-2-[(2E)-2-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

4405-0735 Screening compound: 2-[(2E)-2-[(2E)-2-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
4405-0735 Screening compound: 2-[(2E)-2-[(2E)-2-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4405-0735
2-[(2E)-2-[(2E)-2-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic 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

4405-0735

Molecular Formula

C21H21N3O5S (C21 H21 N3 O5 S)

Compound Name

2-[(2E)-2-[(2E)-2-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

IUPAC name

2-[(2E)-2-[(2E)-2-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}hydrazin-1-ylidene]-4-oxo-13-thiazolidin-5-yl]acetic acid

SMILES

CCOc(cc(/C=N/N=C(\N1)/SC(CC(O)=O)C1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C21H21N3O5S/c1-2-28-17-10-15(8-9-16(17)29-13-14-6-4-3-5-7-14)12-22-24-21-23-20(27)18(30-21)11-19(25)26/h3-10,12,18H,2,11,13H2,1H3,(H,25,26)(H,23,24,27)/t18-/m0/s1

InChI Key

LOSSSFIFESMPLV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03447501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.346

Distribution Coefficient, logD

-0.440

Water Solubility, LogSw

-2.88

Polar Surface Area

87.599

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4405-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4405-0735?
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What is the minimum amount of 4405-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4405-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4405-0735
  • 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 4405-0735 available by request