8399-0922 Screening compound: 4-(furan-2-yl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

8399-0922 Screening compound: 4-(furan-2-yl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
8399-0922 Screening compound: 4-(furan-2-yl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8399-0922
4-(furan-2-yl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-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

8399-0922

Molecular Formula

C16H11N3O2 (C16 H11 N3 O2)

Compound Name

4-(furan-2-yl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

IUPAC name

4-(furan-2-yl)-2-phenyl-1H2H3H-pyrazolo[34-b]pyridin-3-one

SMILES

O=C1N(c2ccccc2)Nc2nccc(-c3ccco3)c12

InChI

InChI=1S/C16H11N3O2/c20-16-14-12(13-7-4-10-21-13)8-9-17-15(14)18-19(16)11-5-2-1-3-6-11/h1-10H,(H,17,18)

InChI Key

KIKOUWVHWZCMHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.509

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-3.01

Polar Surface Area

47.168

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8399-0922 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Fragments Library (11262 compounds)

KRAS-Targeted Library (16000 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Structure:
  • Fragments
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with 8399-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8399-0922?
Check Price and Availability of 8399-0922, 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 8399-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8399-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8399-0922
  • 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 8399-0922 available by request