6187-1596 Screening compound: (5Z)-2-(3-methylphenyl)-5-(phenylmethylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-1596 Screening compound: (5Z)-2-(3-methylphenyl)-5-(phenylmethylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-1596 Screening compound: (5Z)-2-(3-methylphenyl)-5-(phenylmethylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1596
(5Z)-2-(3-methylphenyl)-5-(phenylmethylidene)-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

6187-1596

Molecular Formula

C18H13N3OS (C18 H13 N3 OS)

Compound Name

(5Z)-2-(3-methylphenyl)-5-(phenylmethylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-2-(3-methylphenyl)-5-(phenylmethylidene)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

Cc1cccc(-c2nn(C(/C(/S3)=C/c4ccccc4)=O)c3n2)c1

InChI

InChI=1S/C18H13N3OS/c1-12-6-5-9-14(10-12)16-19-18-21(20-16)17(22)15(23-18)11-13-7-3-2-4-8-13/h2-11H,1H3

InChI Key

YWWAJMQXRFSQAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04019167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.47

Polar Surface Area

37.196

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 6187-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1596?
Check Price and Availability of 6187-1596, 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 6187-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1596
  • 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 6187-1596 available by request