G529-0418 Screening compound: N-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,4-dimethylbenzene-1-sulfonamide

G529-0418 Screening compound: N-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,4-dimethylbenzene-1-sulfonamide
G529-0418 Screening compound: N-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,4-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G529-0418
N-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,4-dimethylbenzene-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

G529-0418

Molecular Formula

C22H26N2O2S (C22 H26 N2 O2 S)

Compound Name

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

IUPAC name

N-({1-[(25-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-24-dimethylbenzene-1-sulfonamide

SMILES

Cc(cc1)cc(C)c1S(NCc1cccn1Cc1c(C)ccc(C)c1)(=O)=O

InChI

InChI=1S/C22H26N2O2S/c1-16-8-10-22(19(4)12-16)27(25,26)23-14-21-6-5-11-24(21)15-20-13-17(2)7-9-18(20)3/h5-13,23H,14-15H2,1-4H3

InChI Key

LWRUZQLMRHQZTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016318

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.724

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-5.35

Polar Surface Area

44.067

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G529-0418 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G529-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G529-0418?
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What is the minimum amount of G529-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G529-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G529-0418
  • 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 G529-0418 available by request