G229-0535 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)pyrrolidin-2-one

G229-0535 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)pyrrolidin-2-one
G229-0535 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G229-0535
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)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

G229-0535

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

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

IUPAC name

4-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-1-(25-dimethylphenyl)pyrrolidin-2-one

SMILES

Cc1cc(N(CC(C2)c3nc(-c(cc4)cc5c4OCO5)no3)C2=O)c(C)cc1

InChI

InChI=1S/C21H19N3O4/c1-12-3-4-13(2)16(7-12)24-10-15(9-19(24)25)21-22-20(23-28-21)14-5-6-17-18(8-14)27-11-26-17/h3-8,15H,9-11H2,1-2H3/t15-/m1/s1

InChI Key

UKSORNRHTWNAFB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD09980661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

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

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-4.59

Polar Surface Area

65.209

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with G229-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G229-0535?
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What is the minimum amount of G229-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G229-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G229-0535
  • 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 G229-0535 available by request