E796-0398 Screening compound: 2-[(5-chloro-2-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

E796-0398 Screening compound: 2-[(5-chloro-2-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
E796-0398 Screening compound: 2-[(5-chloro-2-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E796-0398
2-[(5-chloro-2-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

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

E796-0398

Molecular Formula

C24H17ClFN5O2S (C24 H17 ClFN5 O2 S)

Compound Name

2-[(5-chloro-2-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

IUPAC name

2-[(5-chloro-2-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]-5-oxo-5H-[134]thiadiazolo[23-b]quinazoline-8-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(SC1=Nc2c3ccc(C(NCc(cc4)ccc4F)=O)c2)=NN1C3=O

InChI

InChI=1S/C24H17ClFN5O2S/c1-13-2-6-16(25)11-19(13)28-23-30-31-22(33)18-9-5-15(10-20(18)29-24(31)34-23)21(32)27-12-14-3-7-17(26)8-4-14/h2-11H,12H2,1H3,(H,27,32)(H,28,30)

InChI Key

UPQHHSHNSZMOLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.467

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.58

Polar Surface Area

70.582

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E796-0398 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E796-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E796-0398?
Check Price and Availability of E796-0398, 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 E796-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E796-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E796-0398
  • 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 E796-0398 available by request