G947-4417 Screening compound: N-cyclohexyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,2-dimethylbenzene-1-sulfonamide

G947-4417 Screening compound: N-cyclohexyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,2-dimethylbenzene-1-sulfonamide
G947-4417 Screening compound: N-cyclohexyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,2-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-4417
N-cyclohexyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,2-dimethylbenzene-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

G947-4417

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

N-cyclohexyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,2-dimethylbenzene-1-sulfonamide

IUPAC name

N-cyclohexyl-5-(5-ethyl-124-oxadiazol-3-yl)-N2-dimethylbenzene-1-sulfonamide

SMILES

CCc1nc(-c2cc(S(N(C)C3CCCCC3)(=O)=O)c(C)cc2)no1

InChI

InChI=1S/C18H25N3O3S/c1-4-17-19-18(20-24-17)14-11-10-13(2)16(12-14)25(22,23)21(3)15-8-6-5-7-9-15/h10-12,15H,4-9H2,1-3H3

InChI Key

PYCUHAVTFFWDTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.960

Distribution Coefficient, logD

4.960

Water Solubility, LogSw

-4.60

Polar Surface Area

64.236

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

G947-4417 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 G947-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-4417?
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What is the minimum amount of G947-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-4417
  • 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 G947-4417 available by request