G759-0066 Screening compound: 1-acetyl-N-benzyl-4-{N-[2-(thiophen-2-yl)ethyl]4-acetamidobenzamido}piperidine-4-carboxamide

G759-0066 Screening compound: 1-acetyl-N-benzyl-4-{N-[2-(thiophen-2-yl)ethyl]4-acetamidobenzamido}piperidine-4-carboxamide
G759-0066 Screening compound: 1-acetyl-N-benzyl-4-{N-[2-(thiophen-2-yl)ethyl]4-acetamidobenzamido}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G759-0066
1-acetyl-N-benzyl-4-{N-[2-(thiophen-2-yl)ethyl]4-acetamidobenzamido}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

G759-0066

Molecular Formula

C30H34N4O4S (C30 H34 N4 O4 S)

Compound Name

1-acetyl-N-benzyl-4-{N-[2-(thiophen-2-yl)ethyl]4-acetamidobenzamido}piperidine-4-carboxamide

IUPAC name

1-acetyl-N-benzyl-4-{N-[2-(thiophen-2-yl)ethyl]4-acetamidobenzamido}piperidine-4-carboxamide

SMILES

CC(Nc(cc1)ccc1C(N(CCc1cccs1)C(CC1)(CCN1C(C)=O)C(NCc1ccccc1)=O)=O)=O

InChI

InChI=1S/C30H34N4O4S/c1-22(35)32-26-12-10-25(11-13-26)28(37)34(17-14-27-9-6-20-39-27)30(15-18-33(19-16-30)23(2)36)29(38)31-21-24-7-4-3-5-8-24/h3-13,20H,14-19,21H2,1-2H3,(H,31,38)(H,32,35)

InChI Key

NQNVXJGXKNWBGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15033333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.202

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.44

Polar Surface Area

81.274

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G759-0066 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)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G759-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G759-0066?
Check Price and Availability of G759-0066, 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 G759-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G759-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G759-0066
  • 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 G759-0066 available by request