D353-0009 Screening compound: N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide

D353-0009 Screening compound: N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide
D353-0009 Screening compound: N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D353-0009
N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide

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

D353-0009

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide

IUPAC name

N-benzyl-2-{[5-(34-dimethoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CSc1nnc(-c(cc2)cc(OC)c2OC)o1)=O

InChI

InChI=1S/C20H21N3O4S/c1-23(12-14-7-5-4-6-8-14)18(24)13-28-20-22-21-19(27-20)15-9-10-16(25-2)17(11-15)26-3/h4-11H,12-13H2,1-3H3

InChI Key

TZEDPDCZZOXFBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07242466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.842

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.30

Polar Surface Area

61.220

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D353-0009 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with D353-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D353-0009?
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What is the minimum amount of D353-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D353-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D353-0009
  • 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 D353-0009 available by request