5606-4387 Screening compound: (5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5606-4387 Screening compound: (5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5606-4387 Screening compound: (5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5606-4387
(5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

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

5606-4387

Molecular Formula

C23H22ClN3O3S (C23 H22 ClN3 O3 S)

Compound Name

(5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCOc(ccc(/C=C1\Sc2nc(-c(cccc3)c3Cl)nn2C1=O)c1)c1OCC

InChI

InChI=1S/C23H22ClN3O3S/c1-3-5-12-30-18-11-10-15(13-19(18)29-4-2)14-20-22(28)27-23(31-20)25-21(26-27)16-8-6-7-9-17(16)24/h6-11,13-14H,3-5,12H2,1-2H3

InChI Key

DITKYGGXLMZGGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03666131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.562

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.76

Polar Surface Area

51.911

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 5606-4387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5606-4387?
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What is the minimum amount of 5606-4387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5606-4387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5606-4387
  • 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 5606-4387 available by request