5629-0536 Screening compound: (5Z)-2-(4-tert-butylphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5629-0536 Screening compound: (5Z)-2-(4-tert-butylphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5629-0536 Screening compound: (5Z)-2-(4-tert-butylphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0536
(5Z)-2-(4-tert-butylphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-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

5629-0536

Molecular Formula

C20H19N3OS2 (C20 H19 N3 OS2)

Compound Name

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

IUPAC name

(5Z)-2-(4-tert-butylphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CC(C)(C)c(cc1)ccc1-c1nn(C(/C(/S2)=C/c3c(C)ccs3)=O)c2n1

InChI

InChI=1S/C20H19N3OS2/c1-12-9-10-25-15(12)11-16-18(24)23-19(26-16)21-17(22-23)13-5-7-14(8-6-13)20(2,3)4/h5-11H,1-4H3

InChI Key

HMEQBHWEFGVZKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.136

Distribution Coefficient, logD

6.136

Water Solubility, LogSw

-5.58

Polar Surface Area

38.214

Acid Dissociation Constant (pKa)

28.49

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5629-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0536?
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What is the minimum amount of 5629-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0536
  • 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 5629-0536 available by request