5606-3899 Screening compound: 2-[(5E)-5-[(2-butoxyphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

5606-3899 Screening compound: 2-[(5E)-5-[(2-butoxyphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate
5606-3899 Screening compound: 2-[(5E)-5-[(2-butoxyphenyl)methylidene]-6-oxo-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 5606-3899
2-[(5E)-5-[(2-butoxyphenyl)methylidene]-6-oxo-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

5606-3899

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1c(/C=C2/Sc3nc(-c(cccc4)c4OC(C)=O)nn3C2=O)cccc1

InChI

InChI=1S/C23H21N3O4S/c1-3-4-13-29-18-11-7-5-9-16(18)14-20-22(28)26-23(31-20)24-21(25-26)17-10-6-8-12-19(17)30-15(2)27/h5-12,14H,3-4,13H2,1-2H3

InChI Key

NYPUKKPHWGQSOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03663323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.192

Distribution Coefficient, logD

5.192

Water Solubility, LogSw

-5.07

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

21.70

References: we are preparing a list of scientific research reports with 5606-3899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5606-3899?
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What is the minimum amount of 5606-3899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5606-3899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5606-3899
  • 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 5606-3899 available by request