E796-0189 Screening compound: 2-[(2-methoxyphenyl)amino]-N-(3-methylbutyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

E796-0189 Screening compound: 2-[(2-methoxyphenyl)amino]-N-(3-methylbutyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
E796-0189 Screening compound: 2-[(2-methoxyphenyl)amino]-N-(3-methylbutyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E796-0189
2-[(2-methoxyphenyl)amino]-N-(3-methylbutyl)-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

E796-0189

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

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

IUPAC name

2-[(2-methoxyphenyl)amino]-N-(3-methylbutyl)-5-oxo-5H-[134]thiadiazolo[23-b]quinazoline-8-carboxamide

SMILES

CC(C)CCNC(c(cc1)cc(N=C2SC(Nc(cccc3)c3OC)=NN22)c1C2=O)=O

InChI

InChI=1S/C22H23N5O3S/c1-13(2)10-11-23-19(28)14-8-9-15-17(12-14)25-22-27(20(15)29)26-21(31-22)24-16-6-4-5-7-18(16)30-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,28)(H,24,26)

InChI Key

YLZPGWRIYJKLAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.02

Polar Surface Area

78.326

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E796-0189 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E796-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E796-0189?
Check Price and Availability of E796-0189, 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 E796-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E796-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E796-0189
  • 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 E796-0189 available by request