8011-4638 Screening compound: 2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide

8011-4638 Screening compound: 2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
8011-4638 Screening compound: 2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4638
2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)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

8011-4638

Molecular Formula

C16H13N3O4S (C16 H13 N3 O4 S)

Compound Name

2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide

IUPAC name

2-{[5-(furan-2-yl)-134-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide

SMILES

O=C(CNC(CSc1nnc(-c2ccco2)o1)=O)c1ccccc1

InChI

InChI=1S/C16H13N3O4S/c20-12(11-5-2-1-3-6-11)9-17-14(21)10-24-16-19-18-15(23-16)13-7-4-8-22-13/h1-8H,9-10H2,(H,17,21)

InChI Key

HLOKZYRVBWPFPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02324817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.384

Distribution Coefficient, logD

1.384

Water Solubility, LogSw

-2.09

Polar Surface Area

76.361

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8011-4638 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Immunological Library (6760 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8011-4638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4638?
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What is the minimum amount of 8011-4638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4638
  • 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 8011-4638 available by request