6672-0529 Screening compound: (5E)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-[4-(prop-2-en-1-yloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0529 Screening compound: (5E)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-[4-(prop-2-en-1-yloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0529 Screening compound: (5E)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-[4-(prop-2-en-1-yloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6672-0529
(5E)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-[4-(prop-2-en-1-yloxy)phenyl]-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

6672-0529

Molecular Formula

C21H17N3O2S2 (C21 H17 N3 O2 S2)

Compound Name

(5E)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-[4-(prop-2-en-1-yloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5E)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-[4-(prop-2-en-1-yloxy)phenyl]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CSc1ccc(/C=C2/Sc3nc(-c(cc4)ccc4OCC=C)nn3C2=O)cc1

InChI

InChI=1S/C21H17N3O2S2/c1-3-12-26-16-8-6-15(7-9-16)19-22-21-24(23-19)20(25)18(28-21)13-14-4-10-17(27-2)11-5-14/h3-11,13H,1,12H2,2H3

InChI Key

QNDLWMZLENFFIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06308655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.344

Distribution Coefficient, logD

5.344

Water Solubility, LogSw

-5.45

Polar Surface Area

44.614

Acid Dissociation Constant (pKa)

33.22

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 6672-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0529?
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What is the minimum amount of 6672-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0529
  • 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 6672-0529 available by request