6708-5461 Screening compound: (6Z)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

6708-5461 Screening compound: (6Z)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
6708-5461 Screening compound: (6Z)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6708-5461
(6Z)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-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

6708-5461

Molecular Formula

C26H21N3O3S (C26 H21 N3 O3 S)

Compound Name

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

IUPAC name

(6Z)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-(2-methylphenyl)-5H6H-[124]triazolo[34-b][13]thiazol-5-one

SMILES

Cc(cccc1)c1-c(n1C2=O)nnc1S/C2=C\c(cc1)cc(OC)c1OCc1ccccc1

InChI

InChI=1S/C26H21N3O3S/c1-17-8-6-7-11-20(17)24-27-28-26-29(24)25(30)23(33-26)15-19-12-13-21(22(14-19)31-2)32-16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3

InChI Key

SFEGMHJPCBDCTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09538127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.88

Polar Surface Area

52.889

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

6708-5461 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 6708-5461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6708-5461?
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What is the minimum amount of 6708-5461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6708-5461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6708-5461
  • 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 6708-5461 available by request