F453-0068 Screening compound: 9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-N-(4-methylphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide

F453-0068 Screening compound: 9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-N-(4-methylphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide
F453-0068 Screening compound: 9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-N-(4-methylphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F453-0068
9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-N-(4-methylphenyl)-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

F453-0068

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc(n(C2c(cc3)cc(OC)c3O)nc3)c3C(Nc3ccc(C)cc3)=O)=C2C1=O

InChI

InChI=1S/C27H28N4O4/c1-15-5-8-17(9-6-15)29-26(34)18-14-28-31-24(16-7-10-20(32)22(11-16)35-4)23-19(30-25(18)31)12-27(2,3)13-21(23)33/h5-11,14,24,30,32H,12-13H2,1-4H3,(H,29,34)/t24-/m0/s1

InChI Key

XGFPDTPZWIZOAQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD18175516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

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

4.045

Distribution Coefficient, logD

3.797

Water Solubility, LogSw

-3.83

Polar Surface Area

85.001

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

F453-0068 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F453-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F453-0068?
Check Price and Availability of F453-0068, 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 F453-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F453-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F453-0068
  • 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 F453-0068 available by request