6187-2304 Screening compound: (5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-2304 Screening compound: (5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-2304 Screening compound: (5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-2304
(5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methylphenyl)-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

6187-2304

Molecular Formula

C29H21N5O3S (C29 H21 N5 O3 S)

Compound Name

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

IUPAC name

(5Z)-5-{[3-(23-dihydro-14-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methylphenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

Cc(cccc1)c1-c1nn(C(/C(/S2)=C/c3cn(-c4ccccc4)nc3-c(cc3)cc4c3OCCO4)=O)c2n1

InChI

InChI=1S/C29H21N5O3S/c1-18-7-5-6-10-22(18)27-30-29-34(32-27)28(35)25(38-29)16-20-17-33(21-8-3-2-4-9-21)31-26(20)19-11-12-23-24(15-19)37-14-13-36-23/h2-12,15-17H,13-14H2,1H3

InChI Key

JPZUTILKAQJJOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04014944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.919

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-4.57

Polar Surface Area

67.652

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with 6187-2304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2304?
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What is the minimum amount of 6187-2304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2304
  • 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 6187-2304 available by request