F453-0145 Screening compound: 9-(4-methoxyphenyl)-N-(3-methylphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide

F453-0145 Screening compound: 9-(4-methoxyphenyl)-N-(3-methylphenyl)-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazoline-3-carboxamide
F453-0145 Screening compound: 9-(4-methoxyphenyl)-N-(3-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 F453-0145
9-(4-methoxyphenyl)-N-(3-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

F453-0145

Molecular Formula

C25H24N4O3 (C25 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(c2c(NC(CCC3)=C(C4c(cc5)ccc5OC)C3=O)n4nc2)=O)c1

InChI

InChI=1S/C25H24N4O3/c1-15-5-3-6-17(13-15)27-25(31)19-14-26-29-23(16-9-11-18(32-2)12-10-16)22-20(28-24(19)29)7-4-8-21(22)30/h3,5-6,9-14,23,28H,4,7-8H2,1-2H3,(H,27,31)/t23-/m0/s1

InChI Key

JLXBFOCWSURDIB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD18175511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.28

Polar Surface Area

68.366

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

F453-0145 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F453-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F453-0145?
Check Price and Availability of F453-0145, 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 F453-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F453-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F453-0145
  • 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 F453-0145 available by request