E646-7447 Screening compound: N-[2-(4-ethoxyanilino)-2-oxoethyl]-1,2-dimethyl-4-(methylsulfonyl)-6-oxo-2-piperazinecarboxamide

E646-7447 Screening compound: N-[2-(4-ethoxyanilino)-2-oxoethyl]-1,2-dimethyl-4-(methylsulfonyl)-6-oxo-2-piperazinecarboxamide
E646-7447 Screening compound: N-[2-(4-ethoxyanilino)-2-oxoethyl]-1,2-dimethyl-4-(methylsulfonyl)-6-oxo-2-piperazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E646-7447
N-[2-(4-ethoxyanilino)-2-oxoethyl]-1,2-dimethyl-4-(methylsulfonyl)-6-oxo-2-piperazinecarboxamide

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

E646-7447

Molecular Formula

C18H26N4O6S (C18 H26 N4 O6 S)

Compound Name

N-[2-(4-ethoxyanilino)-2-oxoethyl]-1,2-dimethyl-4-(methylsulfonyl)-6-oxo-2-piperazinecarboxamide

IUPAC name

N-(4-ethoxyphenyl)-2-[(4-methanesulfonyl-12-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide

SMILES

CCOc(cc1)ccc1NC(CNC(C(C)(CN(C1)S(C)(=O)=O)N(C)C1=O)=O)=O

InChI

InChI=1S/C18H26N4O6S/c1-5-28-14-8-6-13(7-9-14)20-15(23)10-19-17(25)18(2)12-22(29(4,26)27)11-16(24)21(18)3/h6-9H,5,10-12H2,1-4H3,(H,19,25)(H,20,23)/t18-/m0/s1

InChI Key

FRPOIPGTYVHLQH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14908612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.457

Distribution Coefficient, logD

0.457

Water Solubility, LogSw

-2.39

Polar Surface Area

102.355

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E646-7447 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E646-7447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E646-7447?
Check Price and Availability of E646-7447, 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 E646-7447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E646-7447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E646-7447
  • 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 E646-7447 available by request