5225-4608 Screening compound: 9-(3,4-dimethoxyphenyl)-2-[4-(dimethylamino)phenyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

5225-4608 Screening compound: 9-(3,4-dimethoxyphenyl)-2-[4-(dimethylamino)phenyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
5225-4608 Screening compound: 9-(3,4-dimethoxyphenyl)-2-[4-(dimethylamino)phenyl]-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 5225-4608
9-(3,4-dimethoxyphenyl)-2-[4-(dimethylamino)phenyl]-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

5225-4608

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

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

IUPAC name

9-(34-dimethoxyphenyl)-2-[4-(dimethylamino)phenyl]-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CN(C)c(cc1)ccc1-c1nn(C(c(cc2)cc(OC)c2OC)C(C(CCC2)=O)=C2N2)c2n1

InChI

InChI=1S/C25H27N5O3/c1-29(2)17-11-8-15(9-12-17)24-27-25-26-18-6-5-7-19(31)22(18)23(30(25)28-24)16-10-13-20(32-3)21(14-16)33-4/h8-14,23H,5-7H2,1-4H3,(H,26,27,28)/t23-/m0/s1

InChI Key

ALUOWJMPLZKYDO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD05899434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.006

Distribution Coefficient, logD

3.999

Water Solubility, LogSw

-4.32

Polar Surface Area

68.410

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

5225-4608 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 5225-4608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-4608?
Check Price and Availability of 5225-4608, 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 5225-4608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-4608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-4608
  • 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 5225-4608 available by request