C796-0618 Screening compound: 4-(benzenesulfonyl)-N-cyclopentyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

C796-0618 Screening compound: 4-(benzenesulfonyl)-N-cyclopentyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
C796-0618 Screening compound: 4-(benzenesulfonyl)-N-cyclopentyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0618
4-(benzenesulfonyl)-N-cyclopentyl-1-(3-fluoro-4-methylphenyl)-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

C796-0618

Molecular Formula

C24H28FN3O4S (C24 H28 FN3 O4 S)

Compound Name

4-(benzenesulfonyl)-N-cyclopentyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

IUPAC name

4-(benzenesulfonyl)-N-cyclopentyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

SMILES

CC(CN(CC1=O)S(c2ccccc2)(=O)=O)(C(NC2CCCC2)=O)N1c1cc(F)c(C)cc1

InChI

InChI=1S/C24H28FN3O4S/c1-17-12-13-19(14-21(17)25)28-22(29)15-27(33(31,32)20-10-4-3-5-11-20)16-24(28,2)23(30)26-18-8-6-7-9-18/h3-5,10-14,18H,6-9,15-16H2,1-2H3,(H,26,30)/t24-/m0/s1

InChI Key

HLEVDJFUJBNULJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14797576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.93

Polar Surface Area

71.761

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C796-0618 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 C796-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0618?
Check Price and Availability of C796-0618, 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 C796-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0618
  • 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 C796-0618 available by request