G729-0151 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-{[1,4'-bipiperidin]-1'-yl}propan-1-one

G729-0151 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-{[1,4'-bipiperidin]-1'-yl}propan-1-one
G729-0151 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-{[1,4'-bipiperidin]-1'-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-0151
3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-{[1,4'-bipiperidin]-1'-yl}propan-1-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

G729-0151

Molecular Formula

C22H30N4O4S (C22 H30 N4 O4 S)

Compound Name

3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-{[1,4'-bipiperidin]-1'-yl}propan-1-one

IUPAC name

3-{3-[(benzenesulfonyl)methyl]-124-oxadiazol-5-yl}-1-{[14'-bipiperidin]-1'-yl}propan-1-one

SMILES

O=C(CCc1nc(CS(c2ccccc2)(=O)=O)no1)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C22H30N4O4S/c27-22(26-15-11-18(12-16-26)25-13-5-2-6-14-25)10-9-21-23-20(24-30-21)17-31(28,29)19-7-3-1-4-8-19/h1,3-4,7-8,18H,2,5-6,9-17H2

InChI Key

MKXVQBMNWYCUOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.840

Distribution Coefficient, logD

-1.715

Water Solubility, LogSw

-2.35

Polar Surface Area

80.823

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

G729-0151 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G729-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-0151?
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What is the minimum amount of G729-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-0151
  • 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 G729-0151 available by request