6187-1813 Screening compound: (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-1813 Screening compound: (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-1813 Screening compound: (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1813
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-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

6187-1813

Molecular Formula

C20H17N3O4S (C20 H17 N3 O4 S)

Compound Name

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

IUPAC name

(5Z)-5-[(24-dimethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

COc1cc(OC)c(/C=C2\Sc3nc(-c(cccc4)c4OC)nn3C2=O)cc1

InChI

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

InChI Key

OTKMWGHZDAZYAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009865

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

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.20

Polar Surface Area

60.001

Acid Dissociation Constant (pKa)

32.38

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6187-1813 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6187-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1813?
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What is the minimum amount of 6187-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1813
  • 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 6187-1813 available by request