G947-4467 Screening compound: 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(2-methylbutan-2-yl)benzene-1-sulfonamide

G947-4467 Screening compound: 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(2-methylbutan-2-yl)benzene-1-sulfonamide
G947-4467 Screening compound: 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(2-methylbutan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-4467
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(2-methylbutan-2-yl)benzene-1-sulfonamide

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

G947-4467

Molecular Formula

C16H23N3O3S (C16 H23 N3 O3 S)

Compound Name

5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(2-methylbutan-2-yl)benzene-1-sulfonamide

IUPAC name

5-(5-ethyl-124-oxadiazol-3-yl)-2-methyl-N-(2-methylbutan-2-yl)benzene-1-sulfonamide

SMILES

CCC(C)(C)NS(c1c(C)ccc(-c2noc(CC)n2)c1)(=O)=O

InChI

InChI=1S/C16H23N3O3S/c1-6-14-17-15(18-22-14)12-9-8-11(3)13(10-12)23(20,21)19-16(4,5)7-2/h8-10,19H,6-7H2,1-5H3

InChI Key

XTOIIUOFLGKHPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.04

Polar Surface Area

73.116

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G947-4467 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G947-4467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-4467?
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What is the minimum amount of G947-4467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-4467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-4467
  • 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 G947-4467 available by request