F453-0069 Screening compound: N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide

F453-0069 Screening compound: N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide
F453-0069 Screening compound: N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F453-0069
N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide

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

F453-0069

Molecular Formula

C26H25ClN4O4 (C26 H25 ClN4 O4)

Compound Name

N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide

IUPAC name

N-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-66-dimethyl-8-oxo-4H5H6H7H8H9H-pyrazolo[32-b]quinazoline-3-carboxamide

SMILES

CC(C)(C1)CC(Nc(n(C2c(cc3)cc(OC)c3O)nc3)c3C(Nc(cc3)ccc3Cl)=O)=C2C1=O

InChI

InChI=1S/C26H25ClN4O4/c1-26(2)11-18-22(20(33)12-26)23(14-4-9-19(32)21(10-14)35-3)31-24(30-18)17(13-28-31)25(34)29-16-7-5-15(27)6-8-16/h4-10,13,23,30,32H,11-12H2,1-3H3,(H,29,34)/t23-/m0/s1

InChI Key

SIGWTEVDKGSNLQ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD18175595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.58

Polar Surface Area

85.001

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

F453-0069 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F453-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F453-0069?
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What is the minimum amount of F453-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F453-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F453-0069
  • 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 F453-0069 available by request