8020-5301 Screening compound: 4-{4-[(2-fluorophenyl)methoxy]phenyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

8020-5301 Screening compound: 4-{4-[(2-fluorophenyl)methoxy]phenyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
8020-5301 Screening compound: 4-{4-[(2-fluorophenyl)methoxy]phenyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5301
4-{4-[(2-fluorophenyl)methoxy]phenyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-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

8020-5301

Molecular Formula

C20H18FN3O2 (C20 H18 FN3 O2)

Compound Name

4-{4-[(2-fluorophenyl)methoxy]phenyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-{4-[(2-fluorophenyl)methoxy]phenyl}-1-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cn1ncc(C(C2)c(cc3)ccc3OCc(cccc3)c3F)c1NC2=O

InChI

InChI=1S/C20H18FN3O2/c1-24-20-17(11-22-24)16(10-19(25)23-20)13-6-8-15(9-7-13)26-12-14-4-2-3-5-18(14)21/h2-9,11,16H,10,12H2,1H3,(H,23,25)/t16-/m1/s1

InChI Key

FWZINHKYYMXKID-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD25976064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

2.896

Water Solubility, LogSw

-3.22

Polar Surface Area

46.387

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8020-5301 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8020-5301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5301?
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What is the minimum amount of 8020-5301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5301
  • 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 8020-5301 available by request