C436-2690 Screening compound: N-{2-[4-(3-METHOXYPHENYL)PIPERAZIN-1-YL]-2-OXOETHYL}-3,5-DIMETHYL-N-(4-METHYLPHENYL)-1H-PYRAZOLE-4-SULFONAMIDE

C436-2690 Screening compound: N-{2-[4-(3-METHOXYPHENYL)PIPERAZIN-1-YL]-2-OXOETHYL}-3,5-DIMETHYL-N-(4-METHYLPHENYL)-1H-PYRAZOLE-4-SULFONAMIDE
C436-2690 Screening compound: N-{2-[4-(3-METHOXYPHENYL)PIPERAZIN-1-YL]-2-OXOETHYL}-3,5-DIMETHYL-N-(4-METHYLPHENYL)-1H-PYRAZOLE-4-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-2690
N-{2-[4-(3-METHOXYPHENYL)PIPERAZIN-1-YL]-2-OXOETHYL}-3,5-DIMETHYL-N-(4-METHYLPHENYL)-1H-PYRAZOLE-4-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

C436-2690

Molecular Formula

C25H31N5O4S (C25 H31 N5 O4 S)

Compound Name

N-{2-[4-(3-METHOXYPHENYL)PIPERAZIN-1-YL]-2-OXOETHYL}-3,5-DIMETHYL-N-(4-METHYLPHENYL)-1H-PYRAZOLE-4-SULFONAMIDE

IUPAC name

n/a

SMILES

Cc([nH]nc1C)c1S(N(CC(N(CC1)CCN1c1cc(OC)ccc1)=O)c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C25H31N5O4S/c1-18-8-10-21(11-9-18)30(35(32,33)25-19(2)26-27-20(25)3)17-24(31)29-14-12-28(13-15-29)22-6-5-7-23(16-22)34-4/h5-11,16H,12-15,17H2,1-4H3,(H,26,27)

InChI Key

KKURQGITTWCVPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

2.889

Water Solubility, LogSw

-3.53

Polar Surface Area

82.904

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C436-2690 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C436-2690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-2690?
Check Price and Availability of C436-2690, 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 C436-2690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-2690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-2690
  • 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 C436-2690 available by request