G947-4440 Screening compound: 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine

G947-4440 Screening compound: 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine
G947-4440 Screening compound: 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-4440
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine

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

G947-4440

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine

IUPAC name

1-[5-(5-ethyl-124-oxadiazol-3-yl)-2-methylbenzenesulfonyl]-4-phenyl-1236-tetrahydropyridine

SMILES

CCc1nc(-c2cc(S(N(CC3)CC=C3c3ccccc3)(=O)=O)c(C)cc2)no1

InChI

InChI=1S/C22H23N3O3S/c1-3-21-23-22(24-28-21)19-10-9-16(2)20(15-19)29(26,27)25-13-11-18(12-14-25)17-7-5-4-6-8-17/h4-11,15H,3,12-14H2,1-2H3

InChI Key

ONQKHHQZINIAKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

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

5.470

Distribution Coefficient, logD

5.470

Water Solubility, LogSw

-5.51

Polar Surface Area

63.021

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G947-4440 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G947-4440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-4440?
Check Price and Availability of G947-4440, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G947-4440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-4440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-4440
  • 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 G947-4440 available by request