C328-0071 Screening compound: 3,4,5-trimethoxy-N-[(5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide

C328-0071 Screening compound: 3,4,5-trimethoxy-N-[(5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide
C328-0071 Screening compound: 3,4,5-trimethoxy-N-[(5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0071
3,4,5-trimethoxy-N-[(5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide

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

C328-0071

Molecular Formula

C21H28N4O6S (C21 H28 N4 O6 S)

Compound Name

3,4,5-trimethoxy-N-[(5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide

IUPAC name

345-trimethoxy-N-[(5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]benzamide

SMILES

CC(CC1)CCN1C(CSc1nnc(CNC(c(cc2OC)cc(OC)c2OC)=O)o1)=O

InChI

InChI=1S/C21H28N4O6S/c1-13-5-7-25(8-6-13)18(26)12-32-21-24-23-17(31-21)11-22-20(27)14-9-15(28-2)19(30-4)16(10-14)29-3/h9-10,13H,5-8,11-12H2,1-4H3,(H,22,27)

InChI Key

MNAUHDQFQAOFTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.519

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-2.31

Polar Surface Area

93.785

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C328-0071 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C328-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0071?
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What is the minimum amount of C328-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0071
  • 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 C328-0071 available by request