6236-4578 Screening compound: (6Z)-6-[(3,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

6236-4578 Screening compound: (6Z)-6-[(3,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
6236-4578 Screening compound: (6Z)-6-[(3,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6236-4578
(6Z)-6-[(3,4-dichlorophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-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

6236-4578

Molecular Formula

C20H15Cl2N3O4S (C20 H15 Cl2 N3 O4 S)

Compound Name

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

IUPAC name

(6Z)-6-[(34-dichlorophenyl)methylidene]-3-(345-trimethoxyphenyl)-5H6H-[124]triazolo[34-b][13]thiazol-5-one

SMILES

COc1cc(-c(n2C3=O)nnc2S/C3=C\c(cc2)cc(Cl)c2Cl)cc(OC)c1OC

InChI

InChI=1S/C20H15Cl2N3O4S/c1-27-14-8-11(9-15(28-2)17(14)29-3)18-23-24-20-25(18)19(26)16(30-20)7-10-4-5-12(21)13(22)6-10/h4-9H,1-3H3

InChI Key

IIGFXYBKBZNOHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04031273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.33

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

4.360

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.71

Polar Surface Area

60.922

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 6236-4578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6236-4578?
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What is the minimum amount of 6236-4578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6236-4578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6236-4578
  • 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 6236-4578 available by request