7399-0140 Screening compound: 9-(4-ethoxyphenyl)-2,6,6-trimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

7399-0140 Screening compound: 9-(4-ethoxyphenyl)-2,6,6-trimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
7399-0140 Screening compound: 9-(4-ethoxyphenyl)-2,6,6-trimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0140
9-(4-ethoxyphenyl)-2,6,6-trimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-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

7399-0140

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

9-(4-ethoxyphenyl)-2,6,6-trimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(4-ethoxyphenyl)-266-trimethyl-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CCOc1ccc(C2n3nc(C)nc3NC(CC(C)(C)C3)=C2C3=O)cc1

InChI

InChI=1S/C20H24N4O2/c1-5-26-14-8-6-13(7-9-14)18-17-15(10-20(3,4)11-16(17)25)22-19-21-12(2)23-24(18)19/h6-9,18H,5,10-11H2,1-4H3,(H,21,22,23)/t18-/m0/s1

InChI Key

KUKLKNUDPZMSNB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05839382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

2.069

Water Solubility, LogSw

-3.40

Polar Surface Area

57.353

Acid Dissociation Constant (pKa)

6.19

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

7399-0140 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7399-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0140?
Check Price and Availability of 7399-0140, 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 7399-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0140
  • 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 7399-0140 available by request