5512-0028 Screening compound: N-(4-bromophenyl)-2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]acetamide

5512-0028 Screening compound: N-(4-bromophenyl)-2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
5512-0028 Screening compound: N-(4-bromophenyl)-2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5512-0028
N-(4-bromophenyl)-2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]acetamide

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

5512-0028

Molecular Formula

C19H18BrN3O3S (C19 H18 BrN3 O3 S)

Compound Name

N-(4-bromophenyl)-2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]acetamide

IUPAC name

N-(4-bromophenyl)-2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-13-thiazolidin-5-yl]acetamide

SMILES

CCOc(cc1)ccc1/N=C(\N1)/SC(CC(Nc(cc2)ccc2Br)=O)C1=O

InChI

InChI=1S/C19H18BrN3O3S/c1-2-26-15-9-7-14(8-10-15)22-19-23-18(25)16(27-19)11-17(24)21-13-5-3-12(20)4-6-13/h3-10,16H,2,11H2,1H3,(H,21,24)(H,22,23,25)/t16-/m0/s1

InChI Key

AASUAHBRBTYSHP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03506010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-3.93

Polar Surface Area

63.426

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 5512-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5512-0028?
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What is the minimum amount of 5512-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5512-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5512-0028
  • 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 5512-0028 available by request