6187-2159 Screening compound: (5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-2159 Screening compound: (5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-2159 Screening compound: (5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-2159
(5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-2-(4-fluorophenyl)-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

6187-2159

Molecular Formula

C26H16FN5OS (C26 H16 FN5 OS)

Compound Name

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

IUPAC name

(5Z)-5-[(13-diphenyl-1H-pyrazol-4-yl)methylidene]-2-(4-fluorophenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

O=C1n2nc(-c(cc3)ccc3F)nc2S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1

InChI

InChI=1S/C26H16FN5OS/c27-20-13-11-18(12-14-20)24-28-26-32(30-24)25(33)22(34-26)15-19-16-31(21-9-5-2-6-10-21)29-23(19)17-7-3-1-4-8-17/h1-16H

InChI Key

CWOWDUWOODZJNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04020769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

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

5.611

Distribution Coefficient, logD

5.611

Water Solubility, LogSw

-5.96

Polar Surface Area

51.829

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6187-2159 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6187-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2159?
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What is the minimum amount of 6187-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2159
  • 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 6187-2159 available by request