D353-0322 Screening compound: 2-{[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

D353-0322 Screening compound: 2-{[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
D353-0322 Screening compound: 2-{[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D353-0322
2-{[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

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

D353-0322

Molecular Formula

C17H21N3O4S (C17 H21 N3 O4 S)

Compound Name

2-{[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{[5-(4-ethoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CCOc(cc1)ccc1-c(o1)nnc1SCC(NCC1OCCC1)=O

InChI

InChI=1S/C17H21N3O4S/c1-2-22-13-7-5-12(6-8-13)16-19-20-17(24-16)25-11-15(21)18-10-14-4-3-9-23-14/h5-8,14H,2-4,9-11H2,1H3,(H,18,21)/t14-/m1/s1

InChI Key

LCFQQNQVESKYCD-CQSZACIVSA-N

MDL Number (MFCD)

MFCD10084712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.586

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-2.37

Polar Surface Area

70.313

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

D353-0322 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D353-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D353-0322?
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What is the minimum amount of D353-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D353-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D353-0322
  • 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 D353-0322 available by request