4552-0022 Screening compound: 2-(4-fluorophenyl)-5-(thiophen-2-yl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one

4552-0022 Screening compound: 2-(4-fluorophenyl)-5-(thiophen-2-yl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one
4552-0022 Screening compound: 2-(4-fluorophenyl)-5-(thiophen-2-yl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4552-0022
2-(4-fluorophenyl)-5-(thiophen-2-yl)-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

4552-0022

Molecular Formula

C15H10FN3OS2 (C15 H10 FN3 OS2)

Compound Name

2-(4-fluorophenyl)-5-(thiophen-2-yl)-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one

IUPAC name

2-(4-fluorophenyl)-5-(thiophen-2-yl)-5H6H7H-[124]triazolo[32-b][13]thiazin-7-one

SMILES

O=C(C1)n2nc(-c(cc3)ccc3F)nc2SC1c1cccs1

InChI

InChI=1S/C15H10FN3OS2/c16-10-5-3-9(4-6-10)14-17-15-19(18-14)13(20)8-12(22-15)11-2-1-7-21-11/h1-7,12H,8H2/t12-/m0/s1

InChI Key

NSEIZGBKDCHFOQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03066908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

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

3.633

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-3.97

Polar Surface Area

38.126

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

4552-0022 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4552-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4552-0022?
Check Price and Availability of 4552-0022, 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 4552-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-0022
  • 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 4552-0022 available by request