5629-1853 Screening compound: (5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5629-1853 Screening compound: (5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5629-1853 Screening compound: (5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-1853
(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-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

5629-1853

Molecular Formula

C26H19N5O2S2 (C26 H19 N5 O2 S2)

Compound Name

(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCOc(cc1)ccc1-c(c(/C=C1\Sc2nc(-c3cccs3)nn2C1=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C26H19N5O2S2/c1-2-33-20-12-10-17(11-13-20)23-18(16-30(28-23)19-7-4-3-5-8-19)15-22-25(32)31-26(35-22)27-24(29-31)21-9-6-14-34-21/h3-16H,2H2,1H3

InChI Key

PTLHCHVZSZNDPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03534260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.777

Distribution Coefficient, logD

5.777

Water Solubility, LogSw

-5.49

Polar Surface Area

59.971

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 5629-1853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-1853?
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What is the minimum amount of 5629-1853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-1853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-1853
  • 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 5629-1853 available by request