G948-4536 Screening compound: 4-{1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperidine-4-carbonyl}morpholine

G948-4536 Screening compound: 4-{1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperidine-4-carbonyl}morpholine
G948-4536 Screening compound: 4-{1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperidine-4-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound G948-4536
4-{1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperidine-4-carbonyl}morpholine

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

G948-4536

Molecular Formula

C21H28N4O5S (C21 H28 N4 O5 S)

Compound Name

4-{1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperidine-4-carbonyl}morpholine

IUPAC name

4-{1-[5-(5-ethyl-124-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperidine-4-carbonyl}morpholine

SMILES

CCc1nc(-c2cc(S(N(CC3)CCC3C(N3CCOCC3)=O)(=O)=O)c(C)cc2)no1

InChI

InChI=1S/C21H28N4O5S/c1-3-19-22-20(23-30-19)17-5-4-15(2)18(14-17)31(27,28)25-8-6-16(7-9-25)21(26)24-10-12-29-13-11-24/h4-5,14,16H,3,6-13H2,1-2H3

InChI Key

TVVCOOZSZZKBDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-2.79

Polar Surface Area

87.849

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

G948-4536 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G948-4536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G948-4536?
Check Price and Availability of G948-4536, 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 G948-4536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G948-4536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G948-4536
  • 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 G948-4536 available by request