G728-0238 Screening compound: 3-[(benzenesulfonyl)methyl]-5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazole

G728-0238 Screening compound: 3-[(benzenesulfonyl)methyl]-5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazole
G728-0238 Screening compound: 3-[(benzenesulfonyl)methyl]-5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G728-0238
3-[(benzenesulfonyl)methyl]-5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazole

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

G728-0238

Molecular Formula

C20H19N3O4S (C20 H19 N3 O4 S)

Compound Name

3-[(benzenesulfonyl)methyl]-5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazole

IUPAC name

3-[(benzenesulfonyl)methyl]-5-(3-phenylpyrrolidine-1-carbonyl)-124-oxadiazole

SMILES

O=C(c1nc(CS(c2ccccc2)(=O)=O)no1)N(CC1)CC1c1ccccc1

InChI

InChI=1S/C20H19N3O4S/c24-20(23-12-11-16(13-23)15-7-3-1-4-8-15)19-21-18(22-27-19)14-28(25,26)17-9-5-2-6-10-17/h1-10,16H,11-14H2/t16-/m1/s1

InChI Key

CKPYURTYAPWHEB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15030140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-3.02

Polar Surface Area

78.619

Acid Dissociation Constant (pKa)

24.43

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G728-0238 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 G728-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G728-0238?
Check Price and Availability of G728-0238, 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 G728-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G728-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G728-0238
  • 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 G728-0238 available by request