6187-1804 Screening compound: 4-{[(5Z)-2-(3-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

6187-1804 Screening compound: 4-{[(5Z)-2-(3-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate
6187-1804 Screening compound: 4-{[(5Z)-2-(3-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 6187-1804
4-{[(5Z)-2-(3-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

6187-1804

Molecular Formula

C20H15N3O3S (C20 H15 N3 O3 S)

Compound Name

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

IUPAC name

4-{[(5Z)-2-(3-methylphenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]methyl}phenyl acetate

SMILES

CC(Oc1ccc(/C=C2\Sc3nc(-c4cc(C)ccc4)nn3C2=O)cc1)=O

InChI

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

InChI Key

YOAQPNHBUJSENS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04010276

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

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.04

Polar Surface Area

57.947

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 6187-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1804?
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What is the minimum amount of 6187-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1804
  • 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 6187-1804 available by request