G529-0317 Screening compound: N-{4-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)sulfamoyl]phenyl}propanamide

G529-0317 Screening compound: N-{4-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)sulfamoyl]phenyl}propanamide
G529-0317 Screening compound: N-{4-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)sulfamoyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G529-0317
N-{4-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)sulfamoyl]phenyl}propanamide

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

G529-0317

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

N-{4-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)sulfamoyl]phenyl}propanamide

IUPAC name

N-{4-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)sulfamoyl]phenyl}propanamide

SMILES

CCC(Nc(cc1)ccc1S(NCc1cccn1Cc1cc(C)ccc1)(=O)=O)=O

InChI

InChI=1S/C22H25N3O3S/c1-3-22(26)24-19-9-11-21(12-10-19)29(27,28)23-15-20-8-5-13-25(20)16-18-7-4-6-17(2)14-18/h4-14,23H,3,15-16H2,1-2H3,(H,24,26)

InChI Key

XYRGMAIUYCNWHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-3.99

Polar Surface Area

67.216

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G529-0317 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with G529-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G529-0317?
Check Price and Availability of G529-0317, 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 G529-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G529-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G529-0317
  • 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 G529-0317 available by request