E796-0097 Screening compound: N-(3,5-dimethylphenyl)-2-[(2-ethylphenyl)amino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

E796-0097 Screening compound: N-(3,5-dimethylphenyl)-2-[(2-ethylphenyl)amino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
E796-0097 Screening compound: N-(3,5-dimethylphenyl)-2-[(2-ethylphenyl)amino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E796-0097
N-(3,5-dimethylphenyl)-2-[(2-ethylphenyl)amino]-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

E796-0097

Molecular Formula

C26H23N5O2S (C26 H23 N5 O2 S)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-2-[(2-ethylphenyl)amino]-5-oxo-5H-[134]thiadiazolo[23-b]quinazoline-8-carboxamide

SMILES

CCc(cccc1)c1NC(SC1=Nc2c3ccc(C(Nc4cc(C)cc(C)c4)=O)c2)=NN1C3=O

InChI

InChI=1S/C26H23N5O2S/c1-4-17-7-5-6-8-21(17)28-25-30-31-24(33)20-10-9-18(14-22(20)29-26(31)34-25)23(32)27-19-12-15(2)11-16(3)13-19/h5-14H,4H2,1-3H3,(H,27,32)(H,28,30)

InChI Key

OUYVFPHCSVUQQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.57

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

5.508

Distribution Coefficient, logD

5.503

Water Solubility, LogSw

-5.41

Polar Surface Area

69.260

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E796-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Therapeutical Diversity Annotated Library (7563 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 E796-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E796-0097?
Check Price and Availability of E796-0097, 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 E796-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E796-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E796-0097
  • 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 E796-0097 available by request