6187-2151 Screening compound: (5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-2151 Screening compound: (5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-2151 Screening compound: (5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-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 6187-2151
(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-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

6187-2151

Molecular Formula

C28H20FN5O3S (C28 H20 FN5 O3 S)

Compound Name

(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-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-{[3-(34-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-fluorophenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

COc(ccc(-c(c(/C=C1\Sc2nc(-c(cc3)ccc3F)nn2C1=O)c1)nn1-c1ccccc1)c1)c1OC

InChI

InChI=1S/C28H20FN5O3S/c1-36-22-13-10-18(14-23(22)37-2)25-19(16-33(31-25)21-6-4-3-5-7-21)15-24-27(35)34-28(38-24)30-26(32-34)17-8-11-20(29)12-9-17/h3-16H,1-2H3

InChI Key

VZPTXPQURJWYRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.427

Distribution Coefficient, logD

5.427

Water Solubility, LogSw

-5.47

Polar Surface Area

67.089

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 6187-2151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2151?
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What is the minimum amount of 6187-2151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2151
  • 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 6187-2151 available by request