6187-2300 Screening compound: (5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(3-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-2300 Screening compound: (5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(3-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-2300 Screening compound: (5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(3-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-2300
(5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(3-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

6187-2300

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-(3-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-(3-methylphenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

Cc1cccc(-c2nn(C(/C(/S3)=C/c4cn(-c5ccccc5)nc4-c(cc4)cc5c4OCCO5)=O)c3n2)c1

InChI

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

InChI Key

QHNSHNAHKVZMCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04021920

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

5.205

Distribution Coefficient, logD

5.205

Water Solubility, LogSw

-5.01

Polar Surface Area

67.652

Acid Dissociation Constant (pKa)

27.89

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 6187-2300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2300?
Check Price and Availability of 6187-2300, 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 6187-2300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2300
  • 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 6187-2300 available by request