G229-0408 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

G229-0408 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
G229-0408 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G229-0408
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2-fluorophenyl)-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

G229-0408

Molecular Formula

C20H16FN3O4 (C20 H16 FN3 O4)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-4-[3-(2-fluorophenyl)-124-oxadiazol-5-yl]pyrrolidin-2-one

SMILES

O=C(CC(C1)c2nc(-c(cccc3)c3F)no2)N1c(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H16FN3O4/c21-15-4-2-1-3-14(15)19-22-20(28-23-19)12-9-18(25)24(11-12)13-5-6-16-17(10-13)27-8-7-26-16/h1-6,10,12H,7-9,11H2/t12-/m0/s1

InChI Key

RSGGYYHBPACKFJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD09249018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.686

Distribution Coefficient, logD

2.686

Water Solubility, LogSw

-3.24

Polar Surface Area

64.217

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G229-0408 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G229-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G229-0408?
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What is the minimum amount of G229-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G229-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G229-0408
  • 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 G229-0408 available by request