C436-2820 Screening compound: N-(2,5-diethoxyphenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamide

C436-2820 Screening compound: N-(2,5-diethoxyphenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamide
C436-2820 Screening compound: N-(2,5-diethoxyphenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-2820
N-(2,5-diethoxyphenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-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

C436-2820

Molecular Formula

C24H30N4O5S (C24 H30 N4 O5 S)

Compound Name

N-(2,5-diethoxyphenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamide

IUPAC name

N-(25-diethoxyphenyl)-2-[N-(4-methylphenyl)35-dimethyl-1H-pyrazole-4-sulfonamido]acetamide

SMILES

CCOc(cc1)cc(NC(CN(c2ccc(C)cc2)S(c2c(C)[nH]nc2C)(=O)=O)=O)c1OCC

InChI

InChI=1S/C24H30N4O5S/c1-6-32-20-12-13-22(33-7-2)21(14-20)25-23(29)15-28(19-10-8-16(3)9-11-19)34(30,31)24-17(4)26-27-18(24)5/h8-14H,6-7,15H2,1-5H3,(H,25,29)(H,26,27)

InChI Key

KWMSUKZZZHURHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-3.83

Polar Surface Area

92.493

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C436-2820 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 C436-2820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-2820?
Check Price and Availability of C436-2820, 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 C436-2820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-2820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-2820
  • 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 C436-2820 available by request