F127-0021 Screening compound: 2-[(3-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

F127-0021 Screening compound: 2-[(3-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
F127-0021 Screening compound: 2-[(3-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F127-0021
2-[(3-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-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

F127-0021

Molecular Formula

C16H12N4OS (C16 H12 N4 OS)

Compound Name

2-[(3-methylphenyl)amino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

IUPAC name

2-[(3-methylphenyl)amino]-5H-[134]thiadiazolo[23-b]quinazolin-5-one

SMILES

Cc1cccc(NC(SC2=Nc3c4cccc3)=NN2C4=O)c1

InChI

InChI=1S/C16H12N4OS/c1-10-5-4-6-11(9-10)17-15-19-20-14(21)12-7-2-3-8-13(12)18-16(20)22-15/h2-9H,1H3,(H,17,19)

InChI Key

LCVNTDGCWYGYIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.73

Polar Surface Area

46.867

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

F127-0021 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Human Phosphatases Annotated Library (206 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F127-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F127-0021?
Check Price and Availability of F127-0021, 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 F127-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F127-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F127-0021
  • 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 F127-0021 available by request