E646-7559 Screening compound: N-[(2,5-dimethylphenyl)methyl]-2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide

E646-7559 Screening compound: N-[(2,5-dimethylphenyl)methyl]-2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide
E646-7559 Screening compound: N-[(2,5-dimethylphenyl)methyl]-2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E646-7559
N-[(2,5-dimethylphenyl)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

E646-7559

Molecular Formula

C19H28N4O5S (C19 H28 N4 O5 S)

Compound Name

N-[(2,5-dimethylphenyl)methyl]-2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide

IUPAC name

N-[(25-dimethylphenyl)methyl]-2-[(4-methanesulfonyl-12-dimethyl-6-oxopiperazin-2-yl)formamido]acetamide

SMILES

CC(CN(C1)S(C)(=O)=O)(C(NCC(NCc2c(C)ccc(C)c2)=O)=O)N(C)C1=O

InChI

InChI=1S/C19H28N4O5S/c1-13-6-7-14(2)15(8-13)9-20-16(24)10-21-18(26)19(3)12-23(29(5,27)28)11-17(25)22(19)4/h6-8H,9-12H2,1-5H3,(H,20,24)(H,21,26)/t19-/m0/s1

InChI Key

PGZYTJJYWWEWMK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14908631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.225

Distribution Coefficient, logD

1.225

Water Solubility, LogSw

-2.48

Polar Surface Area

96.554

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

E646-7559 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 E646-7559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E646-7559?
Check Price and Availability of E646-7559, 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 E646-7559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E646-7559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E646-7559
  • 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 E646-7559 available by request