G631-0579 Screening compound: N-benzyl-N-ethyl-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

G631-0579 Screening compound: N-benzyl-N-ethyl-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide
G631-0579 Screening compound: N-benzyl-N-ethyl-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G631-0579
N-benzyl-N-ethyl-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-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

G631-0579

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

N-benzyl-N-ethyl-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

IUPAC name

N-benzyl-N-ethyl-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

SMILES

CCN(Cc1ccccc1)C(C(CCC1=O)N1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C21H24N2O4S/c1-3-22(15-17-7-5-4-6-8-17)21(25)19-13-14-20(24)23(19)28(26,27)18-11-9-16(2)10-12-18/h4-12,19H,3,13-15H2,1-2H3/t19-/m0/s1

InChI Key

SNPPHDXTCOACJF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27146879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.660

Water Solubility, LogSw

-2.86

Polar Surface Area

62.151

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G631-0579 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G631-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G631-0579?
Check Price and Availability of G631-0579, 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 G631-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G631-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G631-0579
  • 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 G631-0579 available by request