G781-0131 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide

G781-0131 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
G781-0131 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G781-0131
N-[2-(3,4-diethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide

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

G781-0131

Molecular Formula

C27H34N4O5 (C27 H34 N4 O5)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]piperidine-4-carboxamide

SMILES

CCOc(ccc(CCNC(C(CC1)CCN1c1nc(-c(cc2)ccc2OC)no1)=O)c1)c1OCC

InChI

InChI=1S/C27H34N4O5/c1-4-34-23-11-6-19(18-24(23)35-5-2)12-15-28-26(32)21-13-16-31(17-14-21)27-29-25(30-36-27)20-7-9-22(33-3)10-8-20/h6-11,18,21H,4-5,12-17H2,1-3H3,(H,28,32)

InChI Key

CRPCUKYHFONVSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-3.86

Polar Surface Area

81.659

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G781-0131 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with G781-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G781-0131?
Check Price and Availability of G781-0131, 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 G781-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G781-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G781-0131
  • 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 G781-0131 available by request