6672-0296 Screening compound: (5Z)-2-(furan-2-yl)-5-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0296 Screening compound: (5Z)-2-(furan-2-yl)-5-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0296 Screening compound: (5Z)-2-(furan-2-yl)-5-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6672-0296
(5Z)-2-(furan-2-yl)-5-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-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

6672-0296

Molecular Formula

C18H13N3O3S (C18 H13 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCOc1ccc(/C=C2\Sc3nc(-c4ccco4)nn3C2=O)cc1

InChI

InChI=1S/C18H13N3O3S/c1-2-9-23-13-7-5-12(6-8-13)11-15-17(22)21-18(25-15)19-16(20-21)14-4-3-10-24-14/h2-8,10-11H,1,9H2

InChI Key

LSYQPRMRKUQSNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04447236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

3.574

Water Solubility, LogSw

-3.64

Polar Surface Area

53.192

Acid Dissociation Constant (pKa)

33.22

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

6672-0296 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6672-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0296?
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What is the minimum amount of 6672-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0296
  • 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 6672-0296 available by request