6672-0303 Screening compound: (5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(furan-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0303 Screening compound: (5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(furan-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0303 Screening compound: (5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]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 6672-0303
(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]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

6672-0303

Molecular Formula

C23H17N3O4S (C23 H17 N3 O4 S)

Compound Name

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

IUPAC name

(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(furan-2-yl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

COc(cc(/C=C1\Sc2nc(-c3ccco3)nn2C1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C23H17N3O4S/c1-28-19-12-16(9-10-17(19)30-14-15-6-3-2-4-7-15)13-20-22(27)26-23(31-20)24-21(25-26)18-8-5-11-29-18/h2-13H,14H2,1H3

InChI Key

AEXSGAQTAMAGBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04447026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

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

4.180

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.58

Polar Surface Area

60.719

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 6672-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0303?
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What is the minimum amount of 6672-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0303
  • 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 6672-0303 available by request