C327-0248 Screening compound: N-{3-[1-benzoyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

C327-0248 Screening compound: N-{3-[1-benzoyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
C327-0248 Screening compound: N-{3-[1-benzoyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C327-0248
N-{3-[1-benzoyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

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

C327-0248

Molecular Formula

C21H19N3O3S2 (C21 H19 N3 O3 S2)

Compound Name

N-{3-[1-benzoyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

IUPAC name

N-{3-[1-benzoyl-5-(thiophen-2-yl)-45-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

SMILES

CS(Nc1cc(C(CC2c3cccs3)=NN2C(c2ccccc2)=O)ccc1)(=O)=O

InChI

InChI=1S/C21H19N3O3S2/c1-29(26,27)23-17-10-5-9-16(13-17)18-14-19(20-11-6-12-28-20)24(22-18)21(25)15-7-3-2-4-8-15/h2-13,19,23H,14H2,1H3

InChI Key

ZPSFVDJINHRFPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04463764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-3.96

Polar Surface Area

70.000

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C327-0248 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C327-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C327-0248?
Check Price and Availability of C327-0248, 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 C327-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C327-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C327-0248
  • 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 C327-0248 available by request