G948-0221 Screening compound: N-(2-methoxyphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperidine-4-carboxamide

G948-0221 Screening compound: N-(2-methoxyphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperidine-4-carboxamide
G948-0221 Screening compound: N-(2-methoxyphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G948-0221
N-(2-methoxyphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperidine-4-carboxamide

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

G948-0221

Molecular Formula

C22H24N4O5S (C22 H24 N4 O5 S)

Compound Name

N-(2-methoxyphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]piperidine-4-carboxamide

IUPAC name

N-(2-methoxyphenyl)-1-[3-(5-methyl-124-oxadiazol-3-yl)benzenesulfonyl]piperidine-4-carboxamide

SMILES

Cc1nc(-c2cccc(S(N(CC3)CCC3C(Nc(cccc3)c3OC)=O)(=O)=O)c2)no1

InChI

InChI=1S/C22H24N4O5S/c1-15-23-21(25-31-15)17-6-5-7-18(14-17)32(28,29)26-12-10-16(11-13-26)22(27)24-19-8-3-4-9-20(19)30-2/h3-9,14,16H,10-13H2,1-2H3,(H,24,27)

InChI Key

XWTYGCXACMRKKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.56

Polar Surface Area

92.878

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G948-0221 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 G948-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G948-0221?
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What is the minimum amount of G948-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G948-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G948-0221
  • 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 G948-0221 available by request