C796-0786 Screening compound: N-benzyl-1-(2,3-dimethylphenyl)-4-(4-methoxybenzenesulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide

C796-0786 Screening compound: N-benzyl-1-(2,3-dimethylphenyl)-4-(4-methoxybenzenesulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide
C796-0786 Screening compound: N-benzyl-1-(2,3-dimethylphenyl)-4-(4-methoxybenzenesulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0786
N-benzyl-1-(2,3-dimethylphenyl)-4-(4-methoxybenzenesulfonyl)-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

C796-0786

Molecular Formula

C28H31N3O5S (C28 H31 N3 O5 S)

Compound Name

N-benzyl-1-(2,3-dimethylphenyl)-4-(4-methoxybenzenesulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide

IUPAC name

N-benzyl-1-(23-dimethylphenyl)-4-(4-methoxybenzenesulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide

SMILES

CC(CN(CC1=O)S(c(cc2)ccc2OC)(=O)=O)(C(NCc2ccccc2)=O)N1c1c(C)c(C)ccc1

InChI

InChI=1S/C28H31N3O5S/c1-20-9-8-12-25(21(20)2)31-26(32)18-30(37(34,35)24-15-13-23(36-4)14-16-24)19-28(31,3)27(33)29-17-22-10-6-5-7-11-22/h5-16H,17-19H2,1-4H3,(H,29,33)/t28-/m0/s1

InChI Key

ZWLIJIYAFDOUBA-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14797660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.100

Distribution Coefficient, logD

4.100

Water Solubility, LogSw

-4.25

Polar Surface Area

78.913

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C796-0786 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)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Others

References: we are preparing a list of scientific research reports with C796-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0786?
Check Price and Availability of C796-0786, 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 C796-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0786
  • 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 C796-0786 available by request