3355-0027 Screening compound: 1-(benzenesulfonyl)-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole

3355-0027 Screening compound: 1-(benzenesulfonyl)-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
3355-0027 Screening compound: 1-(benzenesulfonyl)-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3355-0027
1-(benzenesulfonyl)-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole

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

3355-0027

Molecular Formula

C21H17ClN2O2S (C21 H17 ClN2 O2 S)

Compound Name

1-(benzenesulfonyl)-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole

IUPAC name

1-(benzenesulfonyl)-5-(4-chlorophenyl)-3-phenyl-45-dihydro-1H-pyrazole

SMILES

O=S(c1ccccc1)(N(C(C1)c(cc2)ccc2Cl)N=C1c1ccccc1)=O

InChI

InChI=1S/C21H17ClN2O2S/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)27(25,26)19-9-5-2-6-10-19/h1-14,21H,15H2/t21-/m0/s1

InChI Key

YMSRCUDXNVLVQS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02642289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-6.05

Polar Surface Area

42.352

Acid Dissociation Constant (pKa)

16.15

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

3355-0027 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3355-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3355-0027?
Check Price and Availability of 3355-0027, 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 3355-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3355-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3355-0027
  • 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 3355-0027 available by request