C202-3944 Screening compound: 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-3944 Screening compound: 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-3944 Screening compound: 9-(4-chlorophenyl)-6-(4-methoxyphenyl)-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 C202-3944
9-(4-chlorophenyl)-6-(4-methoxyphenyl)-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

C202-3944

Molecular Formula

C22H19ClN4O2 (C22 H19 ClN4 O2)

Compound Name

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

IUPAC name

9-(4-chlorophenyl)-6-(4-methoxyphenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

COc1ccc(C(C2)CC(Nc3ncnn3C3c(cc4)ccc4Cl)=C3C2=O)cc1

InChI

InChI=1S/C22H19ClN4O2/c1-29-17-8-4-13(5-9-17)15-10-18-20(19(28)11-15)21(14-2-6-16(23)7-3-14)27-22(26-18)24-12-25-27/h2-9,12,15,21H,10-11H2,1H3,(H,24,25,26)

InChI Key

XVXKRKVTOPHLQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06780755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.87

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

4.535

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.92

Polar Surface Area

58.829

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

C202-3944 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C202-3944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3944?
Check Price and Availability of C202-3944, 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 C202-3944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3944
  • 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 C202-3944 available by request