G529-0623 Screening compound: 3,4-dimethoxy-N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)benzene-1-sulfonamide

G529-0623 Screening compound: 3,4-dimethoxy-N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)benzene-1-sulfonamide
G529-0623 Screening compound: 3,4-dimethoxy-N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G529-0623
3,4-dimethoxy-N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)benzene-1-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

G529-0623

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

3,4-dimethoxy-N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)benzene-1-sulfonamide

IUPAC name

34-dimethoxy-N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)benzene-1-sulfonamide

SMILES

Cc1ccc(Cn2c(CNS(c(cc3)cc(OC)c3OC)(=O)=O)ccc2)cc1

InChI

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

InChI Key

DJTNIUIPJXZVKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.73

Polar Surface Area

59.328

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G529-0623 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G529-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G529-0623?
Check Price and Availability of G529-0623, 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 G529-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G529-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G529-0623
  • 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 G529-0623 available by request