E646-7603 Screening compound: N-[(4-butoxyphenyl)methyl]-2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide

E646-7603 Screening compound: N-[(4-butoxyphenyl)methyl]-2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide
E646-7603 Screening compound: N-[(4-butoxyphenyl)methyl]-2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E646-7603
N-[(4-butoxyphenyl)methyl]-2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide

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

E646-7603

Molecular Formula

C21H32N4O6S (C21 H32 N4 O6 S)

Compound Name

N-[(4-butoxyphenyl)methyl]-2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide

IUPAC name

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

SMILES

CCCCOc1ccc(CNC(CNC(C(C)(CN(C2)S(C)(=O)=O)N(C)C2=O)=O)=O)cc1

InChI

InChI=1S/C21H32N4O6S/c1-5-6-11-31-17-9-7-16(8-10-17)12-22-18(26)13-23-20(28)21(2)15-25(32(4,29)30)14-19(27)24(21)3/h7-10H,5-6,11-15H2,1-4H3,(H,22,26)(H,23,28)/t21-/m0/s1

InChI Key

BKAVKMYIVPBHBY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14908655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.342

Distribution Coefficient, logD

1.342

Water Solubility, LogSw

-2.43

Polar Surface Area

103.972

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

E646-7603 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E646-7603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E646-7603?
Check Price and Availability of E646-7603, 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 E646-7603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E646-7603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E646-7603
  • 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 E646-7603 available by request