5225-4080 Screening compound: 9-(pyridin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

5225-4080 Screening compound: 9-(pyridin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
5225-4080 Screening compound: 9-(pyridin-4-yl)-2-(3,4,5-trimethoxyphenyl)-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 5225-4080
9-(pyridin-4-yl)-2-(3,4,5-trimethoxyphenyl)-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

5225-4080

Molecular Formula

C23H23N5O4 (C23 H23 N5 O4)

Compound Name

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

IUPAC name

9-(pyridin-4-yl)-2-(345-trimethoxyphenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

COc1cc(-c2nn(C(c3ccncc3)C(C(CCC3)=O)=C3N3)c3n2)cc(OC)c1OC

InChI

InChI=1S/C23H23N5O4/c1-30-17-11-14(12-18(31-2)21(17)32-3)22-26-23-25-15-5-4-6-16(29)19(15)20(28(23)27-22)13-7-9-24-10-8-13/h7-12,20H,4-6H2,1-3H3,(H,25,26,27)/t20-/m0/s1

InChI Key

COONUZWIKXURSG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06402321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-2.95

Polar Surface Area

82.751

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

5225-4080 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5225-4080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-4080?
Check Price and Availability of 5225-4080, 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 5225-4080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-4080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-4080
  • 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 5225-4080 available by request