E646-7590 Screening compound: 2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[3-(propylsulfanyl)propyl]acetamide

E646-7590 Screening compound: 2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[3-(propylsulfanyl)propyl]acetamide
E646-7590 Screening compound: 2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[3-(propylsulfanyl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E646-7590
2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[3-(propylsulfanyl)propyl]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

E646-7590

Molecular Formula

C16H30N4O5S2 (C16 H30 N4 O5 S2)

Compound Name

2-[(4-methanesulfonyl-1,2-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[3-(propylsulfanyl)propyl]acetamide

IUPAC name

2-[(4-methanesulfonyl-12-dimethyl-6-oxopiperazin-2-yl)formamido]-N-[3-(propylsulfanyl)propyl]acetamide

SMILES

CCCSCCCNC(CNC(C(C)(CN(C1)S(C)(=O)=O)N(C)C1=O)=O)=O

InChI

InChI=1S/C16H30N4O5S2/c1-5-8-26-9-6-7-17-13(21)10-18-15(23)16(2)12-20(27(4,24)25)11-14(22)19(16)3/h5-12H2,1-4H3,(H,17,21)(H,18,23)/t16-/m0/s1

InChI Key

HCEXQYXEULJJSO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14908646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.341

Distribution Coefficient, logD

-0.341

Water Solubility, LogSw

-1.27

Polar Surface Area

96.667

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.30

E646-7590 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 E646-7590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E646-7590?
Check Price and Availability of E646-7590, 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 E646-7590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E646-7590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E646-7590
  • 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 E646-7590 available by request