C328-0072 Screening compound: N-[(5-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide

C328-0072 Screening compound: N-[(5-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
C328-0072 Screening compound: N-[(5-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0072
N-[(5-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide

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

C328-0072

Molecular Formula

C22H30N4O6S (C22 H30 N4 O6 S)

Compound Name

N-[(5-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[(5-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-345-trimethoxybenzamide

SMILES

CCC(CCCC1)N1C(CSc1nnc(CNC(c(cc2OC)cc(OC)c2OC)=O)o1)=O

InChI

InChI=1S/C22H30N4O6S/c1-5-15-8-6-7-9-26(15)19(27)13-33-22-25-24-18(32-22)12-23-21(28)14-10-16(29-2)20(31-4)17(11-14)30-3/h10-11,15H,5-9,12-13H2,1-4H3,(H,23,28)/t15-/m0/s1

InChI Key

GISIAWNMADIIQM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04464108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.920

Water Solubility, LogSw

-2.44

Polar Surface Area

93.431

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

C328-0072 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C328-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0072?
Check Price and Availability of C328-0072, 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 C328-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0072
  • 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 C328-0072 available by request