G947-4006 Screening compound: 5-methyl-3-[4-methyl-3-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazole

G947-4006 Screening compound: 5-methyl-3-[4-methyl-3-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazole
G947-4006 Screening compound: 5-methyl-3-[4-methyl-3-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-4006
5-methyl-3-[4-methyl-3-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazole

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

G947-4006

Molecular Formula

C14H17N3O3S (C14 H17 N3 O3 S)

Compound Name

5-methyl-3-[4-methyl-3-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-methyl-3-[4-methyl-3-(pyrrolidine-1-sulfonyl)phenyl]-124-oxadiazole

SMILES

Cc1nc(-c2cc(S(N3CCCC3)(=O)=O)c(C)cc2)no1

InChI

InChI=1S/C14H17N3O3S/c1-10-5-6-12(14-15-11(2)20-16-14)9-13(10)21(18,19)17-7-3-4-8-17/h5-6,9H,3-4,7-8H2,1-2H3

InChI Key

AEUDXULXYMSWKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.807

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-3.11

Polar Surface Area

63.221

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G947-4006 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G947-4006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-4006?
Check Price and Availability of G947-4006, 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 G947-4006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-4006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-4006
  • 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 G947-4006 available by request