C626-0109 Screening compound: N-[2-(4-methylphenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide

C626-0109 Screening compound: N-[2-(4-methylphenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide
C626-0109 Screening compound: N-[2-(4-methylphenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C626-0109
N-[2-(4-methylphenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide

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

C626-0109

Molecular Formula

C26H34N4O3S (C26 H34 N4 O3 S)

Compound Name

N-[2-(4-methylphenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide

IUPAC name

N-[2-(4-methylphenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]135-trimethyl-1H-pyrazole-4-sulfonamido}acetamide

SMILES

CC(C)c(cc1)ccc1N(CC(NCCc1ccc(C)cc1)=O)S(c1c(C)n(C)nc1C)(=O)=O

InChI

InChI=1S/C26H34N4O3S/c1-18(2)23-11-13-24(14-12-23)30(34(32,33)26-20(4)28-29(6)21(26)5)17-25(31)27-16-15-22-9-7-19(3)8-10-22/h7-14,18H,15-17H2,1-6H3,(H,27,31)

InChI Key

VJGUWHWHSRGWDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.66

Polar Surface Area

70.945

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C626-0109 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 C626-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C626-0109?
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What is the minimum amount of C626-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C626-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C626-0109
  • 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 C626-0109 available by request