G529-0663 Screening compound: 4-bromo-N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)benzene-1-sulfonamide

G529-0663 Screening compound: 4-bromo-N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)benzene-1-sulfonamide
G529-0663 Screening compound: 4-bromo-N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G529-0663
4-bromo-N-({1-[(3-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

G529-0663

Molecular Formula

C19H19BrN2O2S (C19 H19 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(Cn2c(CNS(c(cc3)ccc3Br)(=O)=O)ccc2)c1

InChI

InChI=1S/C19H19BrN2O2S/c1-15-4-2-5-16(12-15)14-22-11-3-6-18(22)13-21-25(23,24)19-9-7-17(20)8-10-19/h2-12,21H,13-14H2,1H3

InChI Key

DCOUEKHUWFKCIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

5.148

Water Solubility, LogSw

-5.13

Polar Surface Area

44.067

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G529-0663 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G529-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G529-0663?
Check Price and Availability of G529-0663, 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 G529-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G529-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G529-0663
  • 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 G529-0663 available by request