P029-0129 Screening compound: 5-{5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one

P029-0129 Screening compound: 5-{5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one
P029-0129 Screening compound: 5-{5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P029-0129
5-{5-[(2-fluorophenyl)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

P029-0129

Molecular Formula

C14H10FN3O2 (C14 H10 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C=C1)NC=C1c1noc(Cc(cccc2)c2F)n1

InChI

InChI=1S/C14H10FN3O2/c15-11-4-2-1-3-9(11)7-13-17-14(18-20-13)10-5-6-12(19)16-8-10/h1-6,8H,7H2,(H,16,19)

InChI Key

BPQMEZYUOSOSAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.380

Distribution Coefficient, logD

2.380

Water Solubility, LogSw

-2.66

Polar Surface Area

56.019

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

P029-0129 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with P029-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P029-0129?
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What is the minimum amount of P029-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P029-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P029-0129
  • 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 P029-0129 available by request