6187-1872 Screening compound: 3-{[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

6187-1872 Screening compound: 3-{[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate
6187-1872 Screening compound: 3-{[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1872
3-{[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

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

6187-1872

Molecular Formula

C20H15N3O3S (C20 H15 N3 O3 S)

Compound Name

3-{[(5Z)-2-(2-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

IUPAC name

3-{[(5Z)-2-(2-methylphenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]methyl}phenyl acetate

SMILES

CC(Oc1cccc(/C=C2\Sc3nc(-c4c(C)cccc4)nn3C2=O)c1)=O

InChI

InChI=1S/C20H15N3O3S/c1-12-6-3-4-9-16(12)18-21-20-23(22-18)19(25)17(27-20)11-14-7-5-8-15(10-14)26-13(2)24/h3-11H,1-2H3

InChI Key

MVFWLUIQSFEGSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04026405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.543

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.79

Polar Surface Area

57.947

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 6187-1872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1872?
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What is the minimum amount of 6187-1872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1872
  • 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 6187-1872 available by request