D026-0081 Screening compound: 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide

D026-0081 Screening compound: 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
D026-0081 Screening compound: 2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D026-0081
2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide

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

D026-0081

Molecular Formula

C12H10F3N3OS (C12 H10 F3 N3 OS)

Compound Name

2,2,2-trifluoro-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide

IUPAC name

222-trifluoro-N-[5-(4-methylphenyl)-6H-134-thiadiazin-2-yl]acetamide

SMILES

Cc(cc1)ccc1C1=NN=C(NC(C(F)(F)F)=O)SC1

InChI

InChI=1S/C12H10F3N3OS/c1-7-2-4-8(5-3-7)9-6-20-11(18-17-9)16-10(19)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19)

InChI Key

YAWKVLMARDJGDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06002418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-3.39

Polar Surface Area

43.284

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D026-0081 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D026-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D026-0081?
Check Price and Availability of D026-0081, 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 D026-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D026-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D026-0081
  • 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 D026-0081 available by request