E796-0391 Screening compound: 2-[(5-chloro-2-methylphenyl)amino]-N-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

E796-0391 Screening compound: 2-[(5-chloro-2-methylphenyl)amino]-N-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
E796-0391 Screening compound: 2-[(5-chloro-2-methylphenyl)amino]-N-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E796-0391
2-[(5-chloro-2-methylphenyl)amino]-N-(4-fluorophenyl)-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

E796-0391

Molecular Formula

C23H15ClFN5O2S (C23 H15 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H15ClFN5O2S/c1-12-2-4-14(24)11-18(12)27-22-29-30-21(32)17-9-3-13(10-19(17)28-23(30)33-22)20(31)26-16-7-5-15(25)6-8-16/h2-11H,1H3,(H,26,31)(H,27,29)

InChI Key

DVOUBGKNMKMQGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.87

Polar Surface Area

69.260

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

E796-0391 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 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:
  • Cancer

References: we are preparing a list of scientific research reports with E796-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E796-0391?
Check Price and Availability of E796-0391, 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 E796-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E796-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E796-0391
  • 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 E796-0391 available by request