E646-7573 Screening compound: 2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

E646-7573 Screening compound: 2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
E646-7573 Screening compound: 2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E646-7573
2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[(3,4,5-trimethoxyphenyl)methyl]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

E646-7573

Molecular Formula

C20H30N4O8S (C20 H30 N4 O8 S)

Compound Name

2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

IUPAC name

2-[(4-methanesulfonyl-12-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[(345-trimethoxyphenyl)methyl]acetamide

SMILES

CC(CN(C1)S(C)(=O)=O)(C(NCC(NCc(cc2OC)cc(OC)c2OC)=O)=O)N(C)C1=O

InChI

InChI=1S/C20H30N4O8S/c1-20(12-24(33(6,28)29)11-17(26)23(20)2)19(27)22-10-16(25)21-9-13-7-14(30-3)18(32-5)15(8-13)31-4/h7-8H,9-12H2,1-6H3,(H,21,25)(H,22,27)/t20-/m0/s1

InChI Key

HTMGLUPLYSTFDR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14908634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.309

Distribution Coefficient, logD

-0.309

Water Solubility, LogSw

-1.97

Polar Surface Area

119.532

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

E646-7573 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 E646-7573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E646-7573?
Check Price and Availability of E646-7573, 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 E646-7573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E646-7573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E646-7573
  • 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 E646-7573 available by request