4465-2353 Screening compound: ethyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

4465-2353 Screening compound: ethyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
4465-2353 Screening compound: ethyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4465-2353
ethyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

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

4465-2353

Molecular Formula

C13H14N2O4S (C13 H14 N2 O4 S)

Compound Name

ethyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[5-(4-methoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}acetate

SMILES

CCOC(CSc1nnc(-c(cc2)ccc2OC)o1)=O

InChI

InChI=1S/C13H14N2O4S/c1-3-18-11(16)8-20-13-15-14-12(19-13)9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3

InChI Key

VKFQOWNJKYMGFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00697919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.273

Distribution Coefficient, logD

2.273

Water Solubility, LogSw

-2.42

Polar Surface Area

58.038

Acid Dissociation Constant (pKa)

20.12

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4465-2353 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 4465-2353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4465-2353?
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What is the minimum amount of 4465-2353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4465-2353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4465-2353
  • 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 4465-2353 available by request