6708-5450 Screening compound: (6Z)-3-(2-chlorophenyl)-6-({2-[(4-methylphenyl)methoxy]phenyl}methylidene)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

6708-5450 Screening compound: (6Z)-3-(2-chlorophenyl)-6-({2-[(4-methylphenyl)methoxy]phenyl}methylidene)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
6708-5450 Screening compound: (6Z)-3-(2-chlorophenyl)-6-({2-[(4-methylphenyl)methoxy]phenyl}methylidene)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6708-5450
(6Z)-3-(2-chlorophenyl)-6-({2-[(4-methylphenyl)methoxy]phenyl}methylidene)-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

6708-5450

Molecular Formula

C25H18ClN3O2S (C25 H18 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(COc2c(/C=C3\Sc4nnc(-c(cccc5)c5Cl)n4C3=O)cccc2)cc1

InChI

InChI=1S/C25H18ClN3O2S/c1-16-10-12-17(13-11-16)15-31-21-9-5-2-6-18(21)14-22-24(30)29-23(27-28-25(29)32-22)19-7-3-4-8-20(19)26/h2-14H,15H2,1H3

InChI Key

VMBABHJBSDGFCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.968

Distribution Coefficient, logD

5.968

Water Solubility, LogSw

-5.87

Polar Surface Area

45.259

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

6708-5450 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 6708-5450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6708-5450?
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What is the minimum amount of 6708-5450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6708-5450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6708-5450
  • 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 6708-5450 available by request