5865-4155 Screening compound: (6Z)-3-(4-methylphenyl)-6-[(3-methylthiophen-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

5865-4155 Screening compound: (6Z)-3-(4-methylphenyl)-6-[(3-methylthiophen-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
5865-4155 Screening compound: (6Z)-3-(4-methylphenyl)-6-[(3-methylthiophen-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5865-4155
(6Z)-3-(4-methylphenyl)-6-[(3-methylthiophen-2-yl)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

5865-4155

Molecular Formula

C17H13N3OS2 (C17 H13 N3 OS2)

Compound Name

(6Z)-3-(4-methylphenyl)-6-[(3-methylthiophen-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

IUPAC name

(6Z)-3-(4-methylphenyl)-6-[(3-methylthiophen-2-yl)methylidene]-5H6H-[124]triazolo[34-b][13]thiazol-5-one

SMILES

Cc1c(/C=C2\Sc3nnc(-c4ccc(C)cc4)n3C2=O)scc1

InChI

InChI=1S/C17H13N3OS2/c1-10-3-5-12(6-4-10)15-18-19-17-20(15)16(21)14(23-17)9-13-11(2)7-8-22-13/h3-9H,1-2H3

InChI Key

DUOUIXROFFSINJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09539633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.148

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.20

Polar Surface Area

38.963

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 5865-4155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5865-4155?
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What is the minimum amount of 5865-4155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5865-4155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5865-4155
  • 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 5865-4155 available by request