E713-0029 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-1,2,4-oxadiazol-5-amine

E713-0029 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-1,2,4-oxadiazol-5-amine
E713-0029 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-1,2,4-oxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E713-0029
3-(3,4-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-1,2,4-oxadiazol-5-amine

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

E713-0029

Molecular Formula

C17H24N4O4 (C17 H24 N4 O4)

Compound Name

3-(3,4-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-1,2,4-oxadiazol-5-amine

IUPAC name

3-(34-dimethoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-124-oxadiazol-5-amine

SMILES

COc(ccc(-c1noc(NCCCN2CCOCC2)n1)c1)c1OC

InChI

InChI=1S/C17H24N4O4/c1-22-14-5-4-13(12-15(14)23-2)16-19-17(25-20-16)18-6-3-7-21-8-10-24-11-9-21/h4-5,12H,3,6-11H2,1-2H3,(H,18,19,20)

InChI Key

BMDVCTCLULGMMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.665

Distribution Coefficient, logD

1.411

Water Solubility, LogSw

-1.93

Polar Surface Area

70.456

Acid Dissociation Constant (pKa)

19.83

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

E713-0029 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E713-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E713-0029?
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What is the minimum amount of E713-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E713-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E713-0029
  • 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 E713-0029 available by request