5225-4286 Screening compound: 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

5225-4286 Screening compound: 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
5225-4286 Screening compound: 2-(3-chlorophenyl)-9-(2-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 5225-4286
2-(3-chlorophenyl)-9-(2-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

5225-4286

Molecular Formula

C22H19ClN4O2 (C22 H19 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1c(C2n3nc(-c4cccc(Cl)c4)nc3NC(CCC3)=C2C3=O)cccc1

InChI

InChI=1S/C22H19ClN4O2/c1-29-18-11-3-2-8-15(18)20-19-16(9-5-10-17(19)28)24-22-25-21(26-27(20)22)13-6-4-7-14(23)12-13/h2-4,6-8,11-12,20H,5,9-10H2,1H3,(H,24,25,26)/t20-/m0/s1

InChI Key

MOHGWDLFJYBVFC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05716632

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

5.046

Distribution Coefficient, logD

5.039

Water Solubility, LogSw

-5.16

Polar Surface Area

57.975

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

5225-4286 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 5225-4286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-4286?
Check Price and Availability of 5225-4286, 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 5225-4286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-4286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-4286
  • 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 5225-4286 available by request