P668-0126 Screening compound: 4-(3-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)benzonitrile

P668-0126 Screening compound: 4-(3-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)benzonitrile
P668-0126 Screening compound: 4-(3-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P668-0126
4-(3-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)benzonitrile

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

P668-0126

Molecular Formula

C21H16N4O3 (C21 H16 N4 O3)

Compound Name

4-(3-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,2,4-oxadiazol-5-yl)benzonitrile

IUPAC name

4-(3-{[2-(4-methoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}-124-oxadiazol-5-yl)benzonitrile

SMILES

Cc1c(Cc2noc(-c(cc3)ccc3C#N)n2)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C21H16N4O3/c1-13-18(23-20(27-13)15-7-9-17(26-2)10-8-15)11-19-24-21(28-25-19)16-5-3-14(12-22)4-6-16/h3-10H,11H2,1-2H3

InChI Key

JFUGVHSMLWUAKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.32

Polar Surface Area

75.357

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P668-0126 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P668-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P668-0126?
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What is the minimum amount of P668-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P668-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P668-0126
  • 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 P668-0126 available by request