C517-3352 Screening compound: N-(1-phenylethyl)-2-{N-[4-(propan-2-yl)phenyl]3,5-dimethyl-1H-pyrazole-4-sulfonamido}acetamide

C517-3352 Screening compound: N-(1-phenylethyl)-2-{N-[4-(propan-2-yl)phenyl]3,5-dimethyl-1H-pyrazole-4-sulfonamido}acetamide
C517-3352 Screening compound: N-(1-phenylethyl)-2-{N-[4-(propan-2-yl)phenyl]3,5-dimethyl-1H-pyrazole-4-sulfonamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-3352
N-(1-phenylethyl)-2-{N-[4-(propan-2-yl)phenyl]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

C517-3352

Molecular Formula

C24H30N4O3S (C24 H30 N4 O3 S)

Compound Name

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

IUPAC name

N-(1-phenylethyl)-2-{N-[4-(propan-2-yl)phenyl]35-dimethyl-1H-pyrazole-4-sulfonamido}acetamide

SMILES

CC(C)c(cc1)ccc1N(CC(NC(C)c1ccccc1)=O)S(c1c(C)[nH]nc1C)(=O)=O

InChI

InChI=1S/C24H30N4O3S/c1-16(2)20-11-13-22(14-12-20)28(32(30,31)24-18(4)26-27-19(24)5)15-23(29)25-17(3)21-9-7-6-8-10-21/h6-14,16-17H,15H2,1-5H3,(H,25,29)(H,26,27)/t17-/m0/s1

InChI Key

XFAFZUCMJVRJKR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14763873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-3.95

Polar Surface Area

79.342

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C517-3352 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Digestive system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C517-3352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-3352?
Check Price and Availability of C517-3352, 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 C517-3352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-3352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-3352
  • 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 C517-3352 available by request