5629-0842 Screening compound: 2-(4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenoxy)acetamide

5629-0842 Screening compound: 2-(4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenoxy)acetamide
5629-0842 Screening compound: 2-(4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0842
2-(4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenoxy)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

5629-0842

Molecular Formula

C21H18N4O4S (C21 H18 N4 O4 S)

Compound Name

2-(4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenoxy)acetamide

IUPAC name

2-(4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]methyl}phenoxy)acetamide

SMILES

CCOc(cc1)ccc1-c1nn(C(/C(/S2)=C/c(cc3)ccc3OCC(N)=O)=O)c2n1

InChI

InChI=1S/C21H18N4O4S/c1-2-28-15-9-5-14(6-10-15)19-23-21-25(24-19)20(27)17(30-21)11-13-3-7-16(8-4-13)29-12-18(22)26/h3-11H,2,12H2,1H3,(H2,22,26)

InChI Key

YWIJPQVVCZXMHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.28

Polar Surface Area

85.207

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 5629-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0842
  • 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 5629-0842 available by request