G529-0142 Screening compound: N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,5-dimethoxybenzene-1-sulfonamide

G529-0142 Screening compound: N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,5-dimethoxybenzene-1-sulfonamide
G529-0142 Screening compound: N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,5-dimethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G529-0142
N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,5-dimethoxybenzene-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

G529-0142

Molecular Formula

C20H21FN2O4S (C20 H21 FN2 O4 S)

Compound Name

N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,5-dimethoxybenzene-1-sulfonamide

IUPAC name

N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-25-dimethoxybenzene-1-sulfonamide

SMILES

COc(cc1)cc(S(NCc2cccn2Cc(cc2)ccc2F)(=O)=O)c1OC

InChI

InChI=1S/C20H21FN2O4S/c1-26-18-9-10-19(27-2)20(12-18)28(24,25)22-13-17-4-3-11-23(17)14-15-5-7-16(21)8-6-15/h3-12,22H,13-14H2,1-2H3

InChI Key

KIHIIBZAKLPCAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.46

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

3.489

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.86

Polar Surface Area

59.241

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G529-0142 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G529-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G529-0142?
Check Price and Availability of G529-0142, 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 G529-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G529-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G529-0142
  • 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 G529-0142 available by request