G631-0544 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

G631-0544 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide
G631-0544 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G631-0544
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

G631-0544

Molecular Formula

C20H20N2O6S (C20 H20 N2 O6 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

SMILES

Cc(cc1)ccc1S(N(C(CC1)C(Nc(cc2)cc3c2OCCO3)=O)C1=O)(=O)=O

InChI

InChI=1S/C20H20N2O6S/c1-13-2-5-15(6-3-13)29(25,26)22-16(7-9-19(22)23)20(24)21-14-4-8-17-18(12-14)28-11-10-27-17/h2-6,8,12,16H,7,9-11H2,1H3,(H,21,24)/t16-/m0/s1

InChI Key

AJEUDFADSMAOQP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05240164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.375

Distribution Coefficient, logD

1.375

Water Solubility, LogSw

-2.58

Polar Surface Area

85.129

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G631-0544 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Immune system
Structure:
  • Pool
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G631-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G631-0544?
Check Price and Availability of G631-0544, 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 G631-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G631-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G631-0544
  • 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 G631-0544 available by request