5225-3885 Screening compound: 9-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

5225-3885 Screening compound: 9-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
5225-3885 Screening compound: 9-(3-methoxyphenyl)-2-(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 5225-3885
9-(3-methoxyphenyl)-2-(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

5225-3885

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

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

IUPAC name

9-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

COc(cc1)ccc1-c1nn(C(c2cc(OC)ccc2)C(C(CCC2)=O)=C2N2)c2n1

InChI

InChI=1S/C23H22N4O3/c1-29-16-11-9-14(10-12-16)22-25-23-24-18-7-4-8-19(28)20(18)21(27(23)26-22)15-5-3-6-17(13-15)30-2/h3,5-6,9-13,21H,4,7-8H2,1-2H3,(H,24,25,26)/t21-/m0/s1

InChI Key

BJICXESUKLSZRE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05716619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.45

Polar Surface Area

65.432

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

5225-3885 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 5225-3885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-3885?
Check Price and Availability of 5225-3885, 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 5225-3885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-3885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-3885
  • 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 5225-3885 available by request