6672-0314 Screening compound: (5Z)-5-[(3,4-diethoxyphenyl)methylidene]-2-(furan-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0314 Screening compound: (5Z)-5-[(3,4-diethoxyphenyl)methylidene]-2-(furan-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0314 Screening compound: (5Z)-5-[(3,4-diethoxyphenyl)methylidene]-2-(furan-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6672-0314
(5Z)-5-[(3,4-diethoxyphenyl)methylidene]-2-(furan-2-yl)-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

6672-0314

Molecular Formula

C19H17N3O4S (C19 H17 N3 O4 S)

Compound Name

(5Z)-5-[(3,4-diethoxyphenyl)methylidene]-2-(furan-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-[(34-diethoxyphenyl)methylidene]-2-(furan-2-yl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCOc(ccc(/C=C1\Sc2nc(-c3ccco3)nn2C1=O)c1)c1OCC

InChI

InChI=1S/C19H17N3O4S/c1-3-24-13-8-7-12(10-15(13)25-4-2)11-16-18(23)22-19(27-16)20-17(21-22)14-6-5-9-26-14/h5-11H,3-4H2,1-2H3

InChI Key

OVDRODOYHTZPRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04448166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.22

Polar Surface Area

60.195

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6672-0314 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6672-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0314?
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What is the minimum amount of 6672-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0314
  • 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 6672-0314 available by request