6163-4359 Screening compound: (6Z)-3-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

6163-4359 Screening compound: (6Z)-3-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
6163-4359 Screening compound: (6Z)-3-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6163-4359
(6Z)-3-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)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

6163-4359

Molecular Formula

C20H17N3O4S (C20 H17 N3 O4 S)

Compound Name

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

IUPAC name

(6Z)-3-(34-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylidene]-5H6H-[124]triazolo[34-b][13]thiazol-5-one

SMILES

COc1ccc(/C=C2\Sc3nnc(-c(cc4)cc(OC)c4OC)n3C2=O)cc1

InChI

InChI=1S/C20H17N3O4S/c1-25-14-7-4-12(5-8-14)10-17-19(24)23-18(21-22-20(23)28-17)13-6-9-15(26-2)16(11-13)27-3/h4-11H,1-3H3

InChI Key

ZURCNSJWZLIPBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08681618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.079

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.38

Polar Surface Area

60.749

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 6163-4359 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6163-4359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6163-4359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6163-4359
  • 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 6163-4359 available by request