E646-0413 Screening compound: N-cycloheptyl-1-(2,4-dimethoxyphenyl)-4-methanesulfonyl-2-methyl-6-oxopiperazine-2-carboxamide

E646-0413 Screening compound: N-cycloheptyl-1-(2,4-dimethoxyphenyl)-4-methanesulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
E646-0413 Screening compound: N-cycloheptyl-1-(2,4-dimethoxyphenyl)-4-methanesulfonyl-2-methyl-6-oxopiperazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E646-0413
N-cycloheptyl-1-(2,4-dimethoxyphenyl)-4-methanesulfonyl-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

E646-0413

Molecular Formula

C22H33N3O6S (C22 H33 N3 O6 S)

Compound Name

N-cycloheptyl-1-(2,4-dimethoxyphenyl)-4-methanesulfonyl-2-methyl-6-oxopiperazine-2-carboxamide

IUPAC name

N-cycloheptyl-1-(24-dimethoxyphenyl)-4-methanesulfonyl-2-methyl-6-oxopiperazine-2-carboxamide

SMILES

CC(CN(CC1=O)S(C)(=O)=O)(C(NC2CCCCCC2)=O)N1c(ccc(OC)c1)c1OC

InChI

InChI=1S/C22H33N3O6S/c1-22(21(27)23-16-9-7-5-6-8-10-16)15-24(32(4,28)29)14-20(26)25(22)18-12-11-17(30-2)13-19(18)31-3/h11-13,16H,5-10,14-15H2,1-4H3,(H,23,27)/t22-/m0/s1

InChI Key

XTABUZCYEXWQNA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14907895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-2.93

Polar Surface Area

86.363

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

E646-0413 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 E646-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E646-0413?
Check Price and Availability of E646-0413, 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 E646-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E646-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E646-0413
  • 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 E646-0413 available by request