P029-0096 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1,2-dihydropyridin-2-one

P029-0096 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1,2-dihydropyridin-2-one
P029-0096 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P029-0096
5-[5-(2H-1,3-benzodioxol-5-yl)-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

P029-0096

Molecular Formula

C14H9N3O4 (C14 H9 N3 O4)

Compound Name

5-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1,2-dihydropyridin-2-one

IUPAC name

5-[5-(2H-13-benzodioxol-5-yl)-124-oxadiazol-3-yl]-12-dihydropyridin-2-one

SMILES

O=C(C=C1)NC=C1c1noc(-c(cc2)cc3c2OCO3)n1

InChI

InChI=1S/C14H9N3O4/c18-12-4-2-9(6-15-12)13-16-14(21-17-13)8-1-3-10-11(5-8)20-7-19-10/h1-6H,7H2,(H,15,18)

InChI Key

ZHLCNFUWAYYFQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.956

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.58

Polar Surface Area

73.469

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

P029-0096 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P029-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P029-0096?
Check Price and Availability of P029-0096, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P029-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P029-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P029-0096
  • 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 P029-0096 available by request