P029-0211 Screening compound: 3-fluoro-4-[3-(6-oxo-1,6-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

P029-0211 Screening compound: 3-fluoro-4-[3-(6-oxo-1,6-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
P029-0211 Screening compound: 3-fluoro-4-[3-(6-oxo-1,6-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P029-0211
3-fluoro-4-[3-(6-oxo-1,6-dihydropyridin-3-yl)-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

P029-0211

Molecular Formula

C14H7FN4O2 (C14 H7 FN4 O2)

Compound Name

3-fluoro-4-[3-(6-oxo-1,6-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

IUPAC name

3-fluoro-4-[3-(6-oxo-16-dihydropyridin-3-yl)-124-oxadiazol-5-yl]benzonitrile

SMILES

N#Cc(cc1)cc(F)c1-c1nc(C(C=C2)=CNC2=O)no1

InChI

InChI=1S/C14H7FN4O2/c15-11-5-8(6-16)1-3-10(11)14-18-13(19-21-14)9-2-4-12(20)17-7-9/h1-5,7H,(H,17,20)

InChI Key

BNKDSVIXGISNAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.022

Distribution Coefficient, logD

2.022

Water Solubility, LogSw

-2.81

Polar Surface Area

73.410

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P029-0211 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 P029-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P029-0211?
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What is the minimum amount of P029-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P029-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P029-0211
  • 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 P029-0211 available by request