6488-0110 Screening compound: 2-(4-chlorophenyl)-5-(4-methylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one

6488-0110 Screening compound: 2-(4-chlorophenyl)-5-(4-methylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one
6488-0110 Screening compound: 2-(4-chlorophenyl)-5-(4-methylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6488-0110
2-(4-chlorophenyl)-5-(4-methylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-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

6488-0110

Molecular Formula

C18H14ClN3OS (C18 H14 ClN3 OS)

Compound Name

2-(4-chlorophenyl)-5-(4-methylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one

IUPAC name

2-(4-chlorophenyl)-5-(4-methylphenyl)-5H6H7H-[124]triazolo[32-b][13]thiazin-7-one

SMILES

Cc1ccc(C(C2)Sc3nc(-c(cc4)ccc4Cl)nn3C2=O)cc1

InChI

InChI=1S/C18H14ClN3OS/c1-11-2-4-12(5-3-11)15-10-16(23)22-18(24-15)20-17(21-22)13-6-8-14(19)9-7-13/h2-9,15H,10H2,1H3/t15-/m1/s1

InChI Key

WEFVSXZQKBWIJX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04064647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.85

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

5.028

Distribution Coefficient, logD

5.028

Water Solubility, LogSw

-5.33

Polar Surface Area

37.108

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

6488-0110 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6488-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6488-0110?
Check Price and Availability of 6488-0110, 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 6488-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6488-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6488-0110
  • 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 6488-0110 available by request