E646-3646 Screening compound: N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

E646-3646 Screening compound: N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
E646-3646 Screening compound: N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E646-3646
N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

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

E646-3646

Molecular Formula

C21H24FN3O5S (C21 H24 FN3 O5 S)

Compound Name

N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

SMILES

CC(CN(CC1=O)S(C)(=O)=O)(C(NCc(cc2)ccc2F)=O)N1c1cc(OC)ccc1

InChI

InChI=1S/C21H24FN3O5S/c1-21(20(27)23-12-15-7-9-16(22)10-8-15)14-24(31(3,28)29)13-19(26)25(21)17-5-4-6-18(11-17)30-2/h4-11H,12-14H2,1-3H3,(H,23,27)/t21-/m0/s1

InChI Key

PEFQSQSSUIDQTC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14908455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

1.672

Water Solubility, LogSw

-2.65

Polar Surface Area

78.978

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E646-3646 in Drug Discovery

Included in Screening Libraries

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 E646-3646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E646-3646?
Check Price and Availability of E646-3646, 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 E646-3646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E646-3646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E646-3646
  • 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 E646-3646 available by request