G729-0061 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(pyridin-2-yl)methyl]propanamide

G729-0061 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(pyridin-2-yl)methyl]propanamide
G729-0061 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(pyridin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-0061
3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(pyridin-2-yl)methyl]propanamide

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

G729-0061

Molecular Formula

C18H18N4O4S (C18 H18 N4 O4 S)

Compound Name

3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(pyridin-2-yl)methyl]propanamide

IUPAC name

3-{3-[(benzenesulfonyl)methyl]-124-oxadiazol-5-yl}-N-[(pyridin-2-yl)methyl]propanamide

SMILES

O=C(CCc1nc(CS(c2ccccc2)(=O)=O)no1)NCc1ncccc1

InChI

InChI=1S/C18H18N4O4S/c23-17(20-12-14-6-4-5-11-19-14)9-10-18-21-16(22-26-18)13-27(24,25)15-7-2-1-3-8-15/h1-8,11H,9-10,12-13H2,(H,20,23)

InChI Key

VBSTXXADVBSIOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27154522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.989

Distribution Coefficient, logD

0.989

Water Solubility, LogSw

-2.29

Polar Surface Area

95.351

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G729-0061 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G729-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-0061?
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What is the minimum amount of G729-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-0061
  • 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 G729-0061 available by request