C327-0102 Screening compound: N-{4-[1-(4-methoxybenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

C327-0102 Screening compound: N-{4-[1-(4-methoxybenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
C327-0102 Screening compound: N-{4-[1-(4-methoxybenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C327-0102
N-{4-[1-(4-methoxybenzoyl)-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

C327-0102

Molecular Formula

C22H21N3O4S2 (C22 H21 N3 O4 S2)

Compound Name

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

IUPAC name

N-{4-[1-(4-methoxybenzoyl)-5-(thiophen-2-yl)-45-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

SMILES

COc(cc1)ccc1C(N(C(C1)c2cccs2)N=C1c(cc1)ccc1NS(C)(=O)=O)=O

InChI

InChI=1S/C22H21N3O4S2/c1-29-18-11-7-16(8-12-18)22(26)25-20(21-4-3-13-30-21)14-19(23-25)15-5-9-17(10-6-15)24-31(2,27)28/h3-13,20,24H,14H2,1-2H3/t20-/m1/s1

InChI Key

JTYJIJSVIFBDAZ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04463643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-3.91

Polar Surface Area

77.544

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C327-0102 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 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:
  • 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 C327-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C327-0102?
Check Price and Availability of C327-0102, 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 C327-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C327-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C327-0102
  • 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 C327-0102 available by request