6187-2496 Screening compound: 3-[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

6187-2496 Screening compound: 3-[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
6187-2496 Screening compound: 3-[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-2496
3-[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-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

6187-2496

Molecular Formula

C22H16N4O2S (C22 H16 N4 O2 S)

Compound Name

3-[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(5Z)-2-(2-methylphenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]-1-(prop-2-en-1-yl)-23-dihydro-1H-indol-2-one

SMILES

Cc(cccc1)c1-c1nn(C(/C(/S2)=C(\c(cccc3)c3N3CC=C)/C3=O)=O)c2n1

InChI

InChI=1S/C22H16N4O2S/c1-3-12-25-16-11-7-6-10-15(16)17(20(25)27)18-21(28)26-22(29-18)23-19(24-26)14-9-5-4-8-13(14)2/h3-11H,1,12H2,2H3

InChI Key

PMEOOLLMRAFAKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04033002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.05

Polar Surface Area

52.915

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

6187-2496 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6187-2496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2496?
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What is the minimum amount of 6187-2496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2496
  • 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 6187-2496 available by request