5606-3811 Screening compound: 2-[(5E)-6-oxo-5-[(2-propoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

5606-3811 Screening compound: 2-[(5E)-6-oxo-5-[(2-propoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate
5606-3811 Screening compound: 2-[(5E)-6-oxo-5-[(2-propoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5606-3811
2-[(5E)-6-oxo-5-[(2-propoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

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

5606-3811

Molecular Formula

C22H19N3O4S (C22 H19 N3 O4 S)

Compound Name

2-[(5E)-6-oxo-5-[(2-propoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

IUPAC name

2-[(5E)-6-oxo-5-[(2-propoxyphenyl)methylidene]-5H6H-[124]triazolo[32-b][13]thiazol-2-yl]phenyl acetate

SMILES

CCCOc1c(/C=C2/Sc3nc(-c(cccc4)c4OC(C)=O)nn3C2=O)cccc1

InChI

InChI=1S/C22H19N3O4S/c1-3-12-28-17-10-6-4-8-15(17)13-19-21(27)25-22(30-19)23-20(24-25)16-9-5-7-11-18(16)29-14(2)26/h4-11,13H,3,12H2,1-2H3

InChI Key

LTGKVKSPHCTJJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.67

Polar Surface Area

65.538

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5606-3811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5606-3811?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5606-3811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5606-3811
  • 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 5606-3811 available by request