5629-2097 Screening compound: (5Z)-5-{[3-(4-methylphenyl)-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

5629-2097 Screening compound: (5Z)-5-{[3-(4-methylphenyl)-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
5629-2097 Screening compound: (5Z)-5-{[3-(4-methylphenyl)-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 5629-2097
(5Z)-5-{[3-(4-methylphenyl)-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

5629-2097

Molecular Formula

C25H17N5OS2 (C25 H17 N5 OS2)

Compound Name

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

SMILES

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

InChI

InChI=1S/C25H17N5OS2/c1-16-9-11-17(12-10-16)22-18(15-29(27-22)19-6-3-2-4-7-19)14-21-24(31)30-25(33-21)26-23(28-30)20-8-5-13-32-20/h2-15H,1H3

InChI Key

OCRHXBOAWKKVPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03534455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.831

Distribution Coefficient, logD

5.831

Water Solubility, LogSw

-5.57

Polar Surface Area

52.847

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with 5629-2097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-2097?
Check Price and Availability of 5629-2097, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5629-2097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-2097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-2097
  • 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 5629-2097 available by request