G240-0046 Screening compound: N-(3,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

G240-0046 Screening compound: N-(3,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
G240-0046 Screening compound: N-(3,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G240-0046
N-(3,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

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

G240-0046

Molecular Formula

C21H24N2O7S (C21 H24 N2 O7 S)

Compound Name

N-(3,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-(35-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

COc1cc(NS(c(cc2)cc(OC3)c2OC3C(N2CCCC2)=O)(=O)=O)cc(OC)c1

InChI

InChI=1S/C21H24N2O7S/c1-27-15-9-14(10-16(11-15)28-2)22-31(25,26)17-5-6-18-19(12-17)29-13-20(30-18)21(24)23-7-3-4-8-23/h5-6,9-12,20,22H,3-4,7-8,13H2,1-2H3/t20-/m1/s1

InChI Key

WCFMUBLKGRGRDP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14989389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-3.00

Polar Surface Area

88.427

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G240-0046 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G240-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G240-0046?
Check Price and Availability of G240-0046, 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 G240-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G240-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G240-0046
  • 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 G240-0046 available by request