5629-0644 Screening compound: (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5629-0644 Screening compound: (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5629-0644 Screening compound: (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0644
(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-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

5629-0644

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(ccc(/C=C1\Sc2nc(-c(cc3)ccc3OC)nn2C1=O)c1)c1OC

InChI

InChI=1S/C23H23N3O4S/c1-4-5-12-30-18-11-6-15(13-19(18)29-3)14-20-22(27)26-23(31-20)24-21(25-26)16-7-9-17(28-2)10-8-16/h6-11,13-14H,4-5,12H2,1-3H3

InChI Key

KRIROSWQUOZSSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.167

Distribution Coefficient, logD

5.167

Water Solubility, LogSw

-5.02

Polar Surface Area

59.875

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 5629-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0644?
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What is the minimum amount of 5629-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0644
  • 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 5629-0644 available by request