P029-0168 Screening compound: 5-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one

P029-0168 Screening compound: 5-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one
P029-0168 Screening compound: 5-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P029-0168
5-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-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

P029-0168

Molecular Formula

C15H12ClN3O3 (C15 H12 ClN3 O3)

Compound Name

5-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one

IUPAC name

5-{5-[(3-chloro-4-methoxyphenyl)methyl]-124-oxadiazol-3-yl}-12-dihydropyridin-2-one

SMILES

COc(ccc(Cc1nc(C(C=C2)=CNC2=O)no1)c1)c1Cl

InChI

InChI=1S/C15H12ClN3O3/c1-21-12-4-2-9(6-11(12)16)7-14-18-15(19-22-14)10-3-5-13(20)17-8-10/h2-6,8H,7H2,1H3,(H,17,20)

InChI Key

DSSGOSHOGGEVKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

2.523

Water Solubility, LogSw

-3.39

Polar Surface Area

63.650

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

P029-0168 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P029-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P029-0168?
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What is the minimum amount of P029-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P029-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P029-0168
  • 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 P029-0168 available by request