6456-0557 Screening compound: 4-(4-fluorophenyl)-3-hydroxy-2-phenyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

6456-0557 Screening compound: 4-(4-fluorophenyl)-3-hydroxy-2-phenyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
6456-0557 Screening compound: 4-(4-fluorophenyl)-3-hydroxy-2-phenyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0557
4-(4-fluorophenyl)-3-hydroxy-2-phenyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-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

6456-0557

Molecular Formula

C22H18FN3O2 (C22 H18 FN3 O2)

Compound Name

4-(4-fluorophenyl)-3-hydroxy-2-phenyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

IUPAC name

4-(4-fluorophenyl)-3-hydroxy-2-phenyl-2H4H5H6H7H8H9H-pyrazolo[34-b]quinolin-5-one

SMILES

Oc1c(C(c(cc2)ccc2F)C(C(CCC2)=O)=C2N2)c2nn1-c1ccccc1

InChI

InChI=1S/C22H18FN3O2/c23-14-11-9-13(10-12-14)18-19-16(7-4-8-17(19)27)24-21-20(18)22(28)26(25-21)15-5-2-1-3-6-15/h1-3,5-6,9-12,18,28H,4,7-8H2,(H,24,25)/t18-/m0/s1

InChI Key

LKYVJEVECAONJA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03904302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

2.751

Water Solubility, LogSw

-3.70

Polar Surface Area

54.118

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

6456-0557 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 6456-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0557?
Check Price and Availability of 6456-0557, 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 6456-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0557
  • 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 6456-0557 available by request