6210-0525 Screening compound: (6E)-3-(2-chlorophenyl)-6-[(2-methoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

6210-0525 Screening compound: (6E)-3-(2-chlorophenyl)-6-[(2-methoxyphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
6210-0525 Screening compound: (6E)-3-(2-chlorophenyl)-6-[(2-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 6210-0525
(6E)-3-(2-chlorophenyl)-6-[(2-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

6210-0525

Molecular Formula

C18H12ClN3O2S (C18 H12 ClN3 O2 S)

Compound Name

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

IUPAC name

(6E)-3-(2-chlorophenyl)-6-[(2-methoxyphenyl)methylidene]-5H6H-[124]triazolo[34-b][13]thiazol-5-one

SMILES

COc1c(/C=C2/Sc3nnc(-c(cccc4)c4Cl)n3C2=O)cccc1

InChI

InChI=1S/C18H12ClN3O2S/c1-24-14-9-5-2-6-11(14)10-15-17(23)22-16(20-21-18(22)25-15)12-7-3-4-8-13(12)19/h2-10H,1H3

InChI Key

IJAJPJMMAVTYDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09538095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-4.28

Polar Surface Area

45.575

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

6210-0525 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6210-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6210-0525?
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What is the minimum amount of 6210-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6210-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6210-0525
  • 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 6210-0525 available by request