E713-0335 Screening compound: 1'-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4'-bipiperidine

E713-0335 Screening compound: 1'-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4'-bipiperidine
E713-0335 Screening compound: 1'-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E713-0335
1'-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4'-bipiperidine

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

E713-0335

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

1'-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4'-bipiperidine

IUPAC name

1'-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-14'-bipiperidine

SMILES

COc(ccc(-c1noc(N(CC2)CCC2N2CCCCC2)n1)c1)c1OC

InChI

InChI=1S/C20H28N4O3/c1-25-17-7-6-15(14-18(17)26-2)19-21-20(27-22-19)24-12-8-16(9-13-24)23-10-4-3-5-11-23/h6-7,14,16H,3-5,8-13H2,1-2H3

InChI Key

NWFYFEHYHSIELI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

0.625

Water Solubility, LogSw

-3.58

Polar Surface Area

53.794

Acid Dissociation Constant (pKa)

23.75

Base Dissociation Constant (pKb)

10.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

E713-0335 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E713-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E713-0335?
Check Price and Availability of E713-0335, 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 E713-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E713-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E713-0335
  • 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 E713-0335 available by request