C328-0457 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

C328-0457 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
C328-0457 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0457
N-[(5-{[2-(2,3-dihydro-1H-indol-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

C328-0457

Molecular Formula

C22H22N4O5S (C22 H22 N4 O5 S)

Compound Name

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

IUPAC name

N-[(5-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCc(o1)nnc1SCC(N(CC1)c2c1cccc2)=O)=O)c1)c1OC

InChI

InChI=1S/C22H22N4O5S/c1-29-17-8-7-15(11-18(17)30-2)21(28)23-12-19-24-25-22(31-19)32-13-20(27)26-10-9-14-5-3-4-6-16(14)26/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,28)

InChI Key

KNFHQDYDEDKZOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

1.869

Water Solubility, LogSw

-2.50

Polar Surface Area

85.098

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C328-0457 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C328-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0457?
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What is the minimum amount of C328-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0457
  • 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 C328-0457 available by request