G947-0118 Screening compound: 1-(4-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one

G947-0118 Screening compound: 1-(4-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one
G947-0118 Screening compound: 1-(4-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-0118
1-(4-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-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

G947-0118

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

1-(4-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one

IUPAC name

1-(4-{4-[3-(5-methyl-124-oxadiazol-3-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c1cc(-c2noc(C)n2)ccc1)(=O)=O)=O

InChI

InChI=1S/C21H22N4O4S/c1-15(26)17-6-8-19(9-7-17)24-10-12-25(13-11-24)30(27,28)20-5-3-4-18(14-20)21-22-16(2)29-23-21/h3-9,14H,10-13H2,1-2H3

InChI Key

IMQKTBBMXKYZGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.37

Polar Surface Area

79.942

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G947-0118 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G947-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-0118?
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What is the minimum amount of G947-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-0118
  • 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 G947-0118 available by request