G529-0631 Screening compound: N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-(propan-2-yl)benzene-1-sulfonamide

G529-0631 Screening compound: N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-(propan-2-yl)benzene-1-sulfonamide
G529-0631 Screening compound: N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G529-0631
N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-(propan-2-yl)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

G529-0631

Molecular Formula

C22H26N2O2S (C22 H26 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1S(NCc1cccn1Cc1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H26N2O2S/c1-17(2)20-10-12-22(13-11-20)27(25,26)23-15-21-5-4-14-24(21)16-19-8-6-18(3)7-9-19/h4-14,17,23H,15-16H2,1-3H3

InChI Key

IORILBMXYQAOSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-5.46

Polar Surface Area

44.067

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G529-0631 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G529-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G529-0631?
Check Price and Availability of G529-0631, 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 G529-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G529-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G529-0631
  • 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 G529-0631 available by request