G229-0097 Screening compound: 1-(4-fluorophenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-2-one

G229-0097 Screening compound: 1-(4-fluorophenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-2-one
G229-0097 Screening compound: 1-(4-fluorophenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G229-0097
1-(4-fluorophenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}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

G229-0097

Molecular Formula

C19H13F4N3O2 (C19 H13 F4 N3 O2)

Compound Name

1-(4-fluorophenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-2-one

IUPAC name

1-(4-fluorophenyl)-4-{3-[3-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}pyrrolidin-2-one

SMILES

O=C(CC(C1)c2nc(-c3cc(C(F)(F)F)ccc3)no2)N1c(cc1)ccc1F

InChI

InChI=1S/C19H13F4N3O2/c20-14-4-6-15(7-5-14)26-10-12(9-16(26)27)18-24-17(25-28-18)11-2-1-3-13(8-11)19(21,22)23/h1-8,12H,9-10H2/t12-/m1/s1

InChI Key

FWDLSFOLXLYANW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD09248972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.740

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.83

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

21.10

G229-0097 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G229-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G229-0097?
Check Price and Availability of G229-0097, 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 G229-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G229-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G229-0097
  • 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 G229-0097 available by request