P072-1454 Screening compound: 3-(4-fluorophenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

P072-1454 Screening compound: 3-(4-fluorophenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H-imidazo[4,5-b]pyridin-2-one
P072-1454 Screening compound: 3-(4-fluorophenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P072-1454
3-(4-fluorophenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H-imidazo[4,5-b]pyridin-2-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

P072-1454

Molecular Formula

C20H21FN4O2 (C20 H21 FN4 O2)

Compound Name

3-(4-fluorophenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

IUPAC name

3-(4-fluorophenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CC(CC1)CCN1C(CN(c1cccnc1N1c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C20H21FN4O2/c1-14-8-11-23(12-9-14)18(26)13-24-17-3-2-10-22-19(17)25(20(24)27)16-6-4-15(21)5-7-16/h2-7,10,14H,8-9,11-13H2,1H3

InChI Key

OMZJBSKEAHAKHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

2.652

Water Solubility, LogSw

-2.85

Polar Surface Area

43.960

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P072-1454 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with P072-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P072-1454?
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What is the minimum amount of P072-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P072-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P072-1454
  • 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 P072-1454 available by request