G631-0559 Screening compound: N-benzyl-1-(4-methylbenzenesulfonyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-2-carboxamide

G631-0559 Screening compound: N-benzyl-1-(4-methylbenzenesulfonyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-2-carboxamide
G631-0559 Screening compound: N-benzyl-1-(4-methylbenzenesulfonyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G631-0559
N-benzyl-1-(4-methylbenzenesulfonyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-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

G631-0559

Molecular Formula

C27H28N2O4S (C27 H28 N2 O4 S)

Compound Name

N-benzyl-1-(4-methylbenzenesulfonyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-2-carboxamide

IUPAC name

N-benzyl-1-(4-methylbenzenesulfonyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-2-carboxamide

SMILES

Cc(cc1)ccc1S(N(C(CC1)C(N(CCc2ccccc2)Cc2ccccc2)=O)C1=O)(=O)=O

InChI

InChI=1S/C27H28N2O4S/c1-21-12-14-24(15-13-21)34(32,33)29-25(16-17-26(29)30)27(31)28(20-23-10-6-3-7-11-23)19-18-22-8-4-2-5-9-22/h2-15,25H,16-20H2,1H3/t25-/m0/s1

InChI Key

NZZBQUQFRSGZCR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27146870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-3.99

Polar Surface Area

62.133

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

G631-0559 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G631-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G631-0559?
Check Price and Availability of G631-0559, 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 G631-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G631-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G631-0559
  • 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 G631-0559 available by request