4405-0892 Screening compound: 2-[(2E)-2-[(2E)-2-({3-[(4-bromophenyl)methoxy]-4-methoxyphenyl}methylidene)hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

4405-0892 Screening compound: 2-[(2E)-2-[(2E)-2-({3-[(4-bromophenyl)methoxy]-4-methoxyphenyl}methylidene)hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
4405-0892 Screening compound: 2-[(2E)-2-[(2E)-2-({3-[(4-bromophenyl)methoxy]-4-methoxyphenyl}methylidene)hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4405-0892
2-[(2E)-2-[(2E)-2-({3-[(4-bromophenyl)methoxy]-4-methoxyphenyl}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

4405-0892

Molecular Formula

C20H18BrN3O5S (C20 H18 BrN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(/C=N/N=C(\N1)/SC(CC(O)=O)C1=O)c1)c1OCc(cc1)ccc1Br

InChI

InChI=1S/C20H18BrN3O5S/c1-28-15-7-4-13(8-16(15)29-11-12-2-5-14(21)6-3-12)10-22-24-20-23-19(27)17(30-20)9-18(25)26/h2-8,10,17H,9,11H2,1H3,(H,25,26)(H,23,24,27)/t17-/m1/s1

InChI Key

RTVWIGDCHGSSQE-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03447509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

0.048

Water Solubility, LogSw

-3.34

Polar Surface Area

88.019

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4405-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4405-0892?
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What is the minimum amount of 4405-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4405-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4405-0892
  • 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 4405-0892 available by request