C187-0052 Screening compound: N~6~-(4-chloro-2-fluorophenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

C187-0052 Screening compound: N~6~-(4-chloro-2-fluorophenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
C187-0052 Screening compound: N~6~-(4-chloro-2-fluorophenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C187-0052
N~6~-(4-chloro-2-fluorophenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-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

C187-0052

Molecular Formula

C13H8ClFN2O3S2 (C13 H8 ClFN2 O3 S2)

Compound Name

N~6~-(4-chloro-2-fluorophenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-2-oxo-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

O=C1Sc(cc(cc2)S(Nc(ccc(Cl)c3)c3F)(=O)=O)c2N1

InChI

InChI=1S/C13H8ClFN2O3S2/c14-7-1-3-10(9(15)5-7)17-22(19,20)8-2-4-11-12(6-8)21-13(18)16-11/h1-6,17H,(H,16,18)

InChI Key

CRKVTGIZOOTUSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05027109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-4.13

Polar Surface Area

64.338

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C187-0052 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C187-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C187-0052?
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What is the minimum amount of C187-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C187-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C187-0052
  • 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 C187-0052 available by request