E165-0302 Screening compound: ethyl 2-{2-[5-oxo-3-(thiophen-2-yl)-4,5-dihydro-1,2,4-oxadiazol-4-yl]acetamido}benzoate

E165-0302 Screening compound: ethyl 2-{2-[5-oxo-3-(thiophen-2-yl)-4,5-dihydro-1,2,4-oxadiazol-4-yl]acetamido}benzoate
E165-0302 Screening compound: ethyl 2-{2-[5-oxo-3-(thiophen-2-yl)-4,5-dihydro-1,2,4-oxadiazol-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E165-0302
ethyl 2-{2-[5-oxo-3-(thiophen-2-yl)-4,5-dihydro-1,2,4-oxadiazol-4-yl]acetamido}benzoate

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

E165-0302

Molecular Formula

C17H15N3O5S (C17 H15 N3 O5 S)

Compound Name

ethyl 2-{2-[5-oxo-3-(thiophen-2-yl)-4,5-dihydro-1,2,4-oxadiazol-4-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[5-oxo-3-(thiophen-2-yl)-45-dihydro-124-oxadiazol-4-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C(c1cccs1)=NO1)C1=O)=O)=O

InChI

InChI=1S/C17H15N3O5S/c1-2-24-16(22)11-6-3-4-7-12(11)18-14(21)10-20-15(19-25-17(20)23)13-8-5-9-26-13/h3-9H,2,10H2,1H3,(H,18,21)

InChI Key

STZPXJZQZUPZGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-3.31

Polar Surface Area

83.899

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E165-0302 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E165-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E165-0302?
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What is the minimum amount of E165-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E165-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E165-0302
  • 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 E165-0302 available by request