G229-0096 Screening compound: 4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

G229-0096 Screening compound: 4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
G229-0096 Screening compound: 4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G229-0096
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-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

G229-0096

Molecular Formula

C18H13BrFN3O2 (C18 H13 BrFN3 O2)

Compound Name

4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

IUPAC name

4-[3-(4-bromophenyl)-124-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

SMILES

O=C(CC(C1)c2nc(-c(cc3)ccc3Br)no2)N1c(cc1)ccc1F

InChI

InChI=1S/C18H13BrFN3O2/c19-13-3-1-11(2-4-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-7-5-14(20)6-8-15/h1-8,12H,9-10H2/t12-/m0/s1

InChI Key

JEXSFECUYHNACB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD09248003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-4.88

Polar Surface Area

48.394

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

G229-0096 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Human GPCR Annotated Library (5539 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 G229-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G229-0096?
Check Price and Availability of G229-0096, 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 G229-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G229-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G229-0096
  • 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 G229-0096 available by request