E713-0277 Screening compound: 8-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane

E713-0277 Screening compound: 8-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
E713-0277 Screening compound: 8-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E713-0277
8-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane

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

E713-0277

Molecular Formula

C17H21N3O5 (C17 H21 N3 O5)

Compound Name

8-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

COc(ccc(-c1noc(N(CC2)CCC22OCCO2)n1)c1)c1OC

InChI

InChI=1S/C17H21N3O5/c1-21-13-4-3-12(11-14(13)22-2)15-18-16(25-19-15)20-7-5-17(6-8-20)23-9-10-24-17/h3-4,11H,5-10H2,1-2H3

InChI Key

STQCTCPVNAFKPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.175

Distribution Coefficient, logD

2.175

Water Solubility, LogSw

-2.45

Polar Surface Area

65.137

Acid Dissociation Constant (pKa)

23.75

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

E713-0277 in Drug Discovery

Included in Screening Libraries

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

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 E713-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E713-0277?
Check Price and Availability of E713-0277, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E713-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E713-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E713-0277
  • 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 E713-0277 available by request