C327-0240 Screening compound: N-{3-[1-(3-nitrobenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

C327-0240 Screening compound: N-{3-[1-(3-nitrobenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
C327-0240 Screening compound: N-{3-[1-(3-nitrobenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C327-0240
N-{3-[1-(3-nitrobenzoyl)-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

C327-0240

Molecular Formula

C21H18N4O5S2 (C21 H18 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CS(Nc1cc(C(CC2c3cccs3)=NN2C(c2cc([N+]([O-])=O)ccc2)=O)ccc1)(=O)=O

InChI

InChI=1S/C21H18N4O5S2/c1-32(29,30)23-16-7-2-5-14(11-16)18-13-19(20-9-4-10-31-20)24(22-18)21(26)15-6-3-8-17(12-15)25(27)28/h2-12,19,23H,13H2,1H3/t19-/m1/s1

InChI Key

JOHNGFFGUQKMET-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04463758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.762

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-3.96

Polar Surface Area

103.382

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C327-0240 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C327-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C327-0240?
Check Price and Availability of C327-0240, 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 C327-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C327-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C327-0240
  • 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 C327-0240 available by request