C366-0281 Screening compound: N-{3-[1-(4-chlorobenzenesulfonyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide

C366-0281 Screening compound: N-{3-[1-(4-chlorobenzenesulfonyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide
C366-0281 Screening compound: N-{3-[1-(4-chlorobenzenesulfonyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C366-0281
N-{3-[1-(4-chlorobenzenesulfonyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide

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

C366-0281

Molecular Formula

C23H21ClFN3O4S2 (C23 H21 ClFN3 O4 S2)

Compound Name

N-{3-[1-(4-chlorobenzenesulfonyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide

IUPAC name

N-{3-[1-(4-chlorobenzenesulfonyl)-5-(2-fluorophenyl)-45-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide

SMILES

CCS(Nc1cccc(C(CC2c(cccc3)c3F)=NN2S(c(cc2)ccc2Cl)(=O)=O)c1)(=O)=O

InChI

InChI=1S/C23H21ClFN3O4S2/c1-2-33(29,30)27-18-7-5-6-16(14-18)22-15-23(20-8-3-4-9-21(20)25)28(26-22)34(31,32)19-12-10-17(24)11-13-19/h3-14,23,27H,2,15H2,1H3/t23-/m0/s1

InChI Key

BYIMVBGESYXMIU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04464011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.623

Distribution Coefficient, logD

5.613

Water Solubility, LogSw

-6.00

Polar Surface Area

84.900

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C366-0281 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C366-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C366-0281?
Check Price and Availability of C366-0281, 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 C366-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C366-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C366-0281
  • 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 C366-0281 available by request