8018-5780 Screening compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

8018-5780 Screening compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
8018-5780 Screening compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5780
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

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

8018-5780

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

IUPAC name

3-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

SMILES

COc(ccc(-c1noc(CCC(NCCc2c[nH]c3c2cccc3)=O)n1)c1)c1OC

InChI

InChI=1S/C23H24N4O4/c1-29-19-8-7-15(13-20(19)30-2)23-26-22(31-27-23)10-9-21(28)24-12-11-16-14-25-18-6-4-3-5-17(16)18/h3-8,13-14,25H,9-12H2,1-2H3,(H,24,28)

InChI Key

TWNRWFXOVQWLPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.36

Polar Surface Area

80.754

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

8018-5780 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-5780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5780?
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What is the minimum amount of 8018-5780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5780
  • 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 8018-5780 available by request