C517-1516 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C517-1516 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
C517-1516 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-1516
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-1,3,5-trimethyl-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

C517-1516

Molecular Formula

C26H33N5O4S (C26 H33 N5 O4 S)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-135-trimethyl-1H-pyrazole-4-sulfonamide

SMILES

Cc(n(C)nc1C)c1S(N(CC(N1CCN(Cc2ccccc2)CC1)=O)c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C26H33N5O4S/c1-20-26(21(2)28(3)27-20)36(33,34)31(23-10-12-24(35-4)13-11-23)19-25(32)30-16-14-29(15-17-30)18-22-8-6-5-7-9-22/h5-13H,14-19H2,1-4H3

InChI Key

BUCLYEGTTYVIMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.467

Distribution Coefficient, logD

1.452

Water Solubility, LogSw

-2.25

Polar Surface Area

74.108

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C517-1516 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C517-1516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-1516?
Check Price and Availability of C517-1516, 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 C517-1516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-1516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-1516
  • 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 C517-1516 available by request