C328-0454 Screening compound: N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

C328-0454 Screening compound: N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
C328-0454 Screening compound: N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0454
N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

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

C328-0454

Molecular Formula

C26H30N4O5S (C26 H30 N4 O5 S)

Compound Name

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

IUPAC name

N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCc(o1)nnc1SCC(N1CCC(Cc2ccccc2)CC1)=O)=O)c1)c1OC

InChI

InChI=1S/C26H30N4O5S/c1-33-21-9-8-20(15-22(21)34-2)25(32)27-16-23-28-29-26(35-23)36-17-24(31)30-12-10-19(11-13-30)14-18-6-4-3-5-7-18/h3-9,15,19H,10-14,16-17H2,1-2H3,(H,27,32)

InChI Key

PAPROJFFPOQQOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.52

Polar Surface Area

85.796

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C328-0454 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C328-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0454?
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What is the minimum amount of C328-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0454
  • 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 C328-0454 available by request